SCHEMBL4665563

SCHEMBL4665563

Cc1cc(C2(O)CCC(OCc3ccccc3)CC2(C)N(C)C)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
DPP4 P27487 1/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
CCR2 P41597 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MGLL Q99685 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
S1PR1 P21453 1/20 0.32

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 0.87 OPRM1 (0.45) OPRM1OPRL1DPP4SLC6A4SLC6A3
SCHEMBL4664216 0.81 OPRM1 (0.45) OPRM1OPRL1DPP4SIGMAR1TMEM97
SCHEMBL4665572 0.78 OPRL1 (0.47) OPRM1OPRL1SLC6A4SLC6A3CCR2
SCHEMBL4667288 0.77 OPRM1 (0.42) OPRM1OPRL1DPP4SLC6A4NPC1
SCHEMBL4665560 0.77 OPRM1 (0.44) OPRM1OPRL1DPP4SLC6A4SLC6A3
SCHEMBL29025309 0.73 MAOB (0.42) OPRM1OPRL1SLC6A4
SCHEMBL156982 0.73 MAOB (0.42) OPRM1OPRL1SLC6A4
SCHEMBL11945826 0.70 OPRM1 (0.55) OPRM1OPRL1DPP4SIGMAR1TMEM97
SCHEMBL4665358 0.68 SLC6A4 (0.46) OPRM1OPRL1SLC6A4SLC6A3
SCHEMBL22488577 0.67 OPRM1 (0.61) OPRM1OPRL1DPP4SIGMAR1TMEM97

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