Nitrogen

Nitrogen

SCHEMBL7794313

COc1ccc(N2CCOCC2)cc1.Cl.N#N

nearest known ligand 0.62

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 Nitrogen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E known ✓ A5X5Y0 1/20 0.58
HTR3B known ✓ O95264 1/20 0.58
ADRB1 known ✓ P08588 1/20 0.58
HTR3A known ✓ P46098 1/20 0.58
HTR3D known ✓ Q70Z44 1/20 0.58
HTR3C known ✓ Q8WXA8 1/20 0.58
SIGMAR1 known ✓ Q99720 1/20 0.58
DRD2 known ✓ P14416 1/20 0.51
AKR1C3 P42330 1/20 0.62
MAPT P10636 8/20 0.61
RAB9A P51151 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 3/20 0.58
PRKDC P78527 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2208450 0.94 AKR1C3 (0.68) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL4349056 0.92 AKR1C3 (0.66) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL18415522 0.89 AKR1C3 (0.62) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL10680649 0.85 AKR1C3 (0.58) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL10770587 0.84 MAPT (0.66) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL19831125 0.84 GSK3B (0.65) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL5793905 0.84 RAB9A (0.69) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL6740893 0.83 MAPT (0.86) AKR1C3MAPTRAB9AL3MBTL1KMT2A
Nitrogen SCHEMBL1855134 0.83 ADRB1 (0.59) MAPTL3MBTL1KMT2AADRB1PRKDC
SCHEMBL4880606 0.82 KDM4E (0.70) AKR1C3MAPTRAB9AL3MBTL1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163360-A2 COMPOSITION AND DEVICE FOR DETECTING LEUKOCYTES IN URINE Hypoguard America Limited (US) 2001-12-19 EP claimed
WO-2000043535-A2 COMPOSITION AND DEVICE FOR DETECTING LEUKOCYTES IN URINE HYPOGUARD AMERICA LIMITED (US) 2000-07-27 WO claimed