SCHEMBL9767595

SCHEMBL9767595

CC1Oc2ccc(C#N)cc2C2OC12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.39
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9767412 0.81 DRD2 (0.38) ABCB1KDM4EDRD2DRD3
SCHEMBL13594010 0.80 ABCB1 (0.42) ABCB1KDM4EDRD2DRD3
SCHEMBL9767096 0.76 DRD2 (0.38) ABCB1DRD2DRD3
SCHEMBL9767519 0.73 ABCB1 (0.39) ABCB1KDM4E
SCHEMBL9767517 0.73 ABCB1 (0.39) ABCB1KDM4E
SCHEMBL10912448 0.72 ABCB1 (0.36) ABCB1
SCHEMBL482249 0.68 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL4023253 0.68 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL9371324 0.68 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL481900 0.68 ABCB1 (0.56) ABCB1KDM4E

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
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed