SCHEMBL4780979

SCHEMBL4780979

C=CCN1CCCC[C@H]1[C@@H](N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.48
OPRM1 P35372 4/20 0.40
OPRK1 P41145 4/20 0.40
OPRL1 P41146 4/20 0.40
PRCP P42785 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL1797560 0.92 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL3515953 0.92 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL1797557 0.92 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL4781736 0.89 OPRD1 (0.43) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4781848 0.88 OPRD1 (0.53) OPRD1CYP17A1
SCHEMBL4794880 0.88 OPRD1 (0.53) OPRD1CYP17A1
SCHEMBL4781630 0.86 OPRD1 (0.38) OPRD1OPRM1OPRK1OPRL1PRCP
SCHEMBL4781704 0.83 CREBBP (0.35) OPRD1
SCHEMBL3518323 0.79 SLC6A3 (0.46) OPRD1OPRM1OPRK1OPRL1
SCHEMBL3516176 0.79 SLC6A3 (0.46) OPRD1OPRM1OPRK1OPRL1

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed