SCHEMBL4667320

SCHEMBL4667320

COc1cccc(C2(O)CCC(c3ccccc3)CC2Cc2ccccc2N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.50
SLC6A2 P23975 6/20 0.50
SLC6A4 P31645 6/20 0.50
OPRD1 P41143 6/20 0.50
OPRM1 P35372 4/20 0.50
SLC22A1 O15245 3/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4665556 0.89 SIGMAR1 (0.39) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4664155 0.87 OPRK1 (0.38) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL6937385 0.83 SLC6A4 (0.69) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4663552 0.81 CHRM2 (0.38) OPRK1OPRD1OPRM1CHRM2CHRM1
SCHEMBL5719790 0.79 ATP1A1 (0.33) OPRD1OPRM1
SCHEMBL4663546 0.74 OPRD1 (0.44) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4663722 0.73 MAOA (0.35) OPRK1OPRM1
SCHEMBL4664194 0.73 TACR1 (0.34)
SCHEMBL14503534 0.72 SLC6A2 (0.71) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4667252 0.72 OPRM1 (0.37) OPRK1OPRD1OPRM1MEN1KMT2A

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