SCHEMBL4782463

SCHEMBL4782463

CN1CCCCC1C(N)c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.44
OPRD1 P41143 9/20 0.44
OPRK1 P41145 9/20 0.44
OPRL1 P41146 9/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
HDAC1 Q13547 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL4795682 0.90 ROCK2 (0.40) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL4776989 0.87 CHRNB4 (0.46) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL4776986 0.87 CHRNB4 (0.46) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL1797148 0.87 CHRNB4 (0.50) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL1795410 0.87 CHRNB4 (0.50) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL1794388 0.87 CHRNB4 (0.50) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL1795653 0.87 CHRNB4 (0.50) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL1797151 0.87 CHRNB4 (0.50) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL13403267 0.86 CHRNB4 (0.49) OPRM1OPRD1OPRK1OPRL1CHRNB4
SCHEMBL4780323 0.85 CHRNB4 (0.46) CHRNB4CHRNA3HDAC1

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