SCHEMBL6942937

SCHEMBL6942937

CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)C1CCCCC1.Cc1cccc(C2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
OPRD1 P41143 7/20 0.43
OPRK1 P41145 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A1 O15245 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HDAC4 P56524 1/20 0.36

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
SCHEMBL4663878 0.92 OPRM1 (0.47) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663732 0.87 HDAC4 (0.38) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663713 0.86 HDAC4 (0.38) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663621 0.84 OPRM1 (0.49) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6938405 0.84 LMNA (0.36) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL150889 0.84 OPRK1 (0.57) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL150888 0.84 OPRK1 (0.57) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663634 0.83 OPRM1 (0.49) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663727 0.83 OPRM1 (0.41) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4665507 0.82 SMN1; SMN2 (0.51) OPRM1SLC6A2SLC6A4OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed