SCHEMBL4776163

SCHEMBL4776163

C=CCN1CCCC[C@H]1C(N)c1cccc(-c2cncnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.36
OPRM1 P35372 10/20 0.34
OPRK1 P41145 10/20 0.34
OPRL1 P41146 10/20 0.34
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL4778028 1.00 OPRD1 (0.36) OPRD1OPRM1OPRK1OPRL1USP30
SCHEMBL8220552 0.91 OPRD1 (0.46) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4778904 0.91 OPRD1 (0.46) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4781736 0.88 OPRD1 (0.43) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4781630 0.87 OPRD1 (0.38) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4780899 0.85 IRAK1 (0.39)
SCHEMBL4795530 0.84 OPRD1 (0.36) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4796605 0.83 IDO1 (0.39) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4794937 0.83 IDO1 (0.39) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4793792 0.82 BRD4 (0.34) 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