SCHEMBL4665755

SCHEMBL4665755

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
DPP4 P27487 1/20 0.38
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 2/20 0.37
MCHR1 Q99705 1/20 0.35
HDAC4 P56524 1/20 0.35
CCR1 P32246 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4665563 0.87 OPRM1 (0.46) OPRM1OPRL1DPP4SLC6A4SLC6A3
SCHEMBL4664216 0.86 OPRM1 (0.45) OPRM1OPRL1DPP4HDAC4TMEM97
SCHEMBL4667288 0.80 OPRM1 (0.42) OPRM1OPRL1DPP4SLC6A4
SCHEMBL4665572 0.79 OPRL1 (0.47) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL4663777 0.77 OPRK1 (0.45) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL29025309 0.76 MAOB (0.42) OPRM1OPRL1SLC6A4SLC6A2HDAC4
SCHEMBL156982 0.76 MAOB (0.42) OPRM1OPRL1SLC6A4SLC6A2HDAC4
SCHEMBL11945826 0.69 OPRM1 (0.55) OPRM1OPRL1DPP4HDAC4TMEM97
SCHEMBL18622454 0.68 OPRM1 (0.60) OPRM1OPRL1DPP4DRD4DRD3
SCHEMBL4663490 0.67 OPRM1 (0.46) OPRM1OPRL1DPP4SLC6A4SLC6A2

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