SCHEMBL1328322

SCHEMBL1328322

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)c2cccs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.41
HTR7 P34969 1/20 0.41
HPGD P15428 1/20 0.41
OPRL1 P41146 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NPY5R Q15761 2/20 0.39

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
SCHEMBL1327170 0.85 RAB9A (0.49) MEN1KMT2AHPGDOPRL1NPC1
SCHEMBL2310340 0.85 OPRL1 (0.40) MEN1KMT2AOPRM1OPRL1
SCHEMBL493392 0.83 OPRL1 (0.44) OPRM1OPRL1
SCHEMBL1326706 0.82 HTR7 (0.42) MEN1KMT2AOPRM1HTR7OPRL1
SCHEMBL2310616 0.82 CACNA1I (0.48) OPRM1HTR7OPRL1
SCHEMBL492704 0.81 OPRL1 (0.44) OPRM1OPRL1
SCHEMBL493393 0.81 OPRL1 (0.44) OPRM1OPRL1
SCHEMBL1327345 0.81 OPRL1 (0.41) OPRM1OPRL1NPC1RAB9AKDM4E
SCHEMBL1328275 0.81 DRD2 (0.42) OPRL1
SCHEMBL28774679 0.81 NPC1 (0.48) KMT2AOPRL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed