SCHEMBL4664216

SCHEMBL4664216

CN(C)C1(C)CC(OCc2ccccc2)CCC1(O)c1ccc(Br)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRL1 P41146 3/20 0.45
DPP4 P27487 1/20 0.38
HDAC4 P56524 2/20 0.36
SIGMAR1 Q99720 2/20 0.33
AR P10275 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RORC P51449 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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 0.86 OPRM1 (0.45) OPRM1OPRL1DPP4HDAC4SIGMAR1
SCHEMBL4665563 0.81 OPRM1 (0.46) OPRM1OPRL1DPP4SIGMAR1TMEM97
SCHEMBL4663430 0.77 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1
SCHEMBL29025309 0.76 MAOB (0.42) OPRM1OPRL1HDAC4OPRD1OPRK1
SCHEMBL156982 0.76 MAOB (0.42) OPRM1OPRL1HDAC4OPRD1OPRK1
SCHEMBL4667288 0.74 OPRM1 (0.42) OPRM1OPRL1DPP4
SCHEMBL4665572 0.74 OPRL1 (0.47) OPRM1OPRL1HDAC4OPRD1OPRK1
SCHEMBL11945826 0.69 OPRM1 (0.55) OPRM1OPRL1DPP4HDAC4SIGMAR1
SCHEMBL4663490 0.67 OPRM1 (0.46) OPRM1OPRL1DPP4OPRD1OPRK1
SCHEMBL22488577 0.67 OPRM1 (0.61) OPRM1OPRL1DPP4HDAC4SIGMAR1

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