SCHEMBL7923172

SCHEMBL7923172

CC(c1ccc2c(c1)OCCO2)C(CN1CCCC1)NC(=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.58
OPRM1 P35372 2/20 0.57
PTGS1 P23219 2/20 0.57
HTR1A P08908 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
OPRK1 P41145 2/20 0.46
OPRD1 P41143 1/20 0.46
CNR2 P34972 2/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL12406377 0.90 UGCG (0.70) UGCGOPRM1PTGS1HTR1ASMN1; SMN2
SCHEMBL14870559 0.90 UGCG (0.70) UGCGOPRM1PTGS1HTR1ASMN1; SMN2
SCHEMBL14859180 0.90 UGCG (0.70) UGCGOPRM1PTGS1HTR1ASMN1; SMN2
SCHEMBL17937281 0.87 UGCG (0.66) UGCGOPRM1PTGS1HTR1ASMN1; SMN2
SCHEMBL13492954 0.86 UGCG (0.49) UGCGOPRM1PTGS1HTR1AKDM4E
SCHEMBL12406552 0.85 UGCG (0.66) UGCGOPRM1PTGS1HTR1AOPRK1
SCHEMBL7993471 0.84 UGCG (0.58) UGCGOPRM1PTGS1HTR1AKDM4E
SCHEMBL12406558 0.83 UGCG (0.64) UGCGOPRM1PTGS1HTR1A
SCHEMBL12406390 0.82 UGCG (0.68) UGCGOPRM1PTGS1HTR1AOPRK1
SCHEMBL2167845 0.82 UGCG (0.65) UGCGOPRM1PTGS1HTR1AOPRK1

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
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed