SCHEMBL4779720

SCHEMBL4779720

C=CCN1CCCC[C@H]1C(O)c1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.49
OPRM1 P35372 4/20 0.49
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL22557476 1.00 OPRD1 (0.49) OPRD1OPRM1TDP1
SCHEMBL22557475 1.00 OPRD1 (0.49) OPRD1OPRM1TDP1
SCHEMBL4779712 1.00 OPRD1 (0.49) OPRD1OPRM1TDP1
SCHEMBL4725288 0.97 OPRD1 (0.47) OPRD1OPRM1
SCHEMBL4725294 0.97 OPRD1 (0.47) OPRD1OPRM1
SCHEMBL4792274 0.87 OPRD1 (0.49) OPRD1OPRM1
SCHEMBL22557227 0.83 OPRM1 (0.36) OPRD1OPRM1
SCHEMBL22557225 0.83 OPRM1 (0.36) OPRD1OPRM1
SCHEMBL22557625 0.83 OPRM1 (0.36) OPRD1OPRM1
SCHEMBL4781023 0.83 OPRD1 (0.47) OPRD1OPRM1

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
WO-2020212697-A1 INHIBITOR COMPOUNDS Azeria Therapeutics Limited (GB) 2020-10-22 WO disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed