SCHEMBL4667288

SCHEMBL4667288

COc1ccc(Cl)cc1C1(O)CCC(OCc2ccccc2)CC1(C)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KCNA3 P22001 1/20 0.35
DPP4 P27487 1/20 0.35
APP P05067 1/20 0.35
TSHR P16473 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4665755 0.80 OPRM1 (0.45) OPRM1OPRL1SLC6A4DPP4
SCHEMBL4663961 0.77 OPRK1 (0.43) OPRM1OPRL1HTR2CHTR2BSLC6A4
SCHEMBL4665563 0.77 OPRM1 (0.46) OPRM1OPRL1SLC6A4NPC1RAB9A
SCHEMBL4664216 0.74 OPRM1 (0.45) OPRM1OPRL1DPP4
SCHEMBL156982 0.69 MAOB (0.42) OPRM1OPRL1SLC6A4SMN1; SMN2
SCHEMBL29025309 0.69 MAOB (0.42) OPRM1OPRL1SLC6A4SMN1; SMN2
SCHEMBL11945826 0.69 OPRM1 (0.55) OPRM1OPRL1DPP4
SCHEMBL4664102 0.66 OPRM1 (0.45) OPRM1OPRL1SLC6A4SMN1; SMN2DPP4
SCHEMBL22488577 0.66 OPRM1 (0.61) OPRM1OPRL1DPP4
SCHEMBL4665572 0.65 OPRL1 (0.47) OPRM1OPRL1HTR2CHTR2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed