SCHEMBL3908513

SCHEMBL3908513

CC(=O)OC1(c2ccccc2)CCNC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
OPRM1 P35372 6/20 0.44
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 1/20 0.37
MAPK1 P28482 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
SCHEMBL11602249 0.90 OPRM1 (0.50) HTR2AOPRM1GAANPSR1OPRD1
SCHEMBL3908508 0.85 HTR2A (0.44) HTR2AOPRM1GAAOPRD1OPRK1
SCHEMBL27894690 0.84 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1
SCHEMBL23870954 0.81 HTR2A (0.41) HTR2AOPRM1OPRD1OPRK1
SCHEMBL25475403 0.81 OPRM1 (0.43) HTR2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL23870806 0.81 OPRM1 (0.43) HTR2AOPRM1OPRD1OPRK1
SCHEMBL25475388 0.81 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1
SCHEMBL26785458 0.81 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1
SCHEMBL24944239 0.79 OPRM1 (0.49) HTR2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL25475293 0.79 HTR2A (0.41) HTR2AOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed