SCHEMBL3908508

SCHEMBL3908508

CC(=O)OOC1(c2ccccc2)CCNC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
OPRM1 P35372 6/20 0.43
OPRL1 P41146 1/20 0.36
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3908513 0.85 HTR2A (0.46) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL11602249 0.78 OPRM1 (0.50) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL2423427 0.76 HTR2A (0.53) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL1321314 0.75 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1GAA
SCHEMBL27894690 0.75 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1SLC6A2
SCHEMBL4910469 0.75 HTR2A (0.45) HTR2AOPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL23705827 0.74 HTR2A (0.52) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL24944239 0.74 OPRM1 (0.49) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL25475403 0.73 OPRM1 (0.43) HTR2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL23870806 0.73 OPRM1 (0.43) HTR2AOPRM1OPRD1OPRK1SLC6A2

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