Isobutyramide

Isobutyramide

SCHEMBL68431

CC(C)C(N)=O.Cl

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isobutyramide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isobutyramide SCHEMBL28256794 1.00 LMNA (0.43)
Isobutyramide SCHEMBL7090821 1.00
Isobutyramide SCHEMBL2402176 1.00
Isobutyramide SCHEMBL27318890 0.96
Isobutyramide SCHEMBL27782244 0.96
Isobutyramide SCHEMBL27733619 0.96
Isobutyramide SCHEMBL2829019 0.96
Isobutyramide SCHEMBL11109750 0.96 LMNA (0.46)
Isobutyramide SCHEMBL3323 0.96
Isobutyramide SCHEMBL5830040 0.92

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577535-B2 Substantially solid acidizing composition for treatment of subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2020-03-03 US claimed
CN-104507933-B Amido quinazoline and Pyridopyrimidine derivatives 霍夫曼-拉罗奇有限公司 2017-10-31 CN claimed
US-20160272879-A1 SUBSTANTIALLY SOLID ACIDIZING COMPOSITION FOR TREATMENT OF SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2016-09-22 US claimed
WO-2015126397-A1 SUBSTANTIALLY SOLID ACIDIZING COMPOSITION FOR TREATMENT OF SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2015-08-27 WO claimed
US-8852634-B2 Dosage formulation HOFFMANN-LA ROCHE INC. (US) 2014-10-07 US claimed
US-20130189362-A1 NOVEL DOSAGE FORMULATION HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US claimed
CN-101370799-B Cis-4, 5-diaryl-2-heterocycle-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE 2012-09-05 CN claimed
CN-1953965-B Novel cis-imidazolines HOFFMANN LA ROCHE 2012-07-04 CN claimed
CN-101880354-B High molecular emulsion polymer and preparation method thereof PUYANG CITY CHENGXIN DRILLING PRODUCTION AGENTS CO LTD 2012-05-30 CN claimed
CN-101249996-B Organic high polymer coagulant preparation method UNIV SICHUAN NORMAL 2011-07-20 CN claimed
CN-100402564-C Water soluble organic amphoteric high molecule copolymer and its preparation method UNIV SICHUAN (CN) 2008-07-16 CN claimed
CN-101155784-A Cis-2,4,5-triaryl-imidazolines and their use as anti-cancer medicaments HOFFMANN LA ROCHE (CH) 2008-04-02 CN claimed
CN-100368452-C Water-soluble organic amphiprotic polymeric flocculant and preparation method UNIV SICHUAN NORMAL (CN) 2008-02-13 CN claimed
US-7253320-B2 Process for preparing polymorphic form II of sertraline hydrochloride SANDOZ AG (CH) 2007-08-07 US claimed
CN-1953965-A Novel cis-imidazolines HOFFMANN LA ROCHE (CH) 2007-04-25 CN claimed
CN-1880353-A Water-soluble organic amphiprotic polymeric flocculant and preparation method UNIV SICHUAN NORMAL (CN) 2006-12-20 CN claimed
CN-1869088-A Water soluble organic amphoteric high molecule copolymer and its preparation method UNIV SICHUAN (CN) 2006-11-29 CN claimed
US-20060229472-A1 Process for preparing polymorphic form II of sertraline hydrochloride SANDOZ AG (CH) 2006-10-12 US claimed
EP-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP claimed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO claimed