Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide

SCHEMBL28535893

C(=NC1CCCCC1)=NC1CCCCC1.O

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.30
EPHX1 P07099 1/20 0.94
HIF1A Q16665 1/20 0.94
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.41
APLNR P35414 1/20 0.36

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
Dicyclohexylcarbodiimide SCHEMBL27387313 1.00 EPHX1 (0.94) EPHX1HIF1AALDH1A1CYP1A2APLNR
SCHEMBL11842065 0.97 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL3173433 0.97 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL303 0.97 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2APLNR
SCHEMBL21986399 0.97 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2APLNR
SCHEMBL15667923 0.97 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL22804053 0.94 EPHX1 (0.94) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL6931632 0.94 EPHX1 (0.94) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL1073570 0.94 EPHX1 (0.94) EPHX1HIF1AALDH1A1CYP1A2APLNR
Dicyclohexylcarbodiimide SCHEMBL28399447 0.94 EPHX1 (0.94) EPHX1HIF1AALDH1A1CYP1A2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112320914-B Phosphorus removal agent with composite function and phosphorus removal method 神美科技有限公司 2022-09-27 CN claimed
CN-112320914-A Phosphorus removal agent with composite function and phosphorus removal method 神美科技有限公司 2021-02-05 CN claimed
CN-112320914-B Phosphorus removal agent with composite function and phosphorus removal method 神美科技有限公司 2022-09-27 CN disclosed
CN-112320914-A Phosphorus removal agent with composite function and phosphorus removal method 神美科技有限公司 2021-02-05 CN disclosed