SCHEMBL9620901

SCHEMBL9620901

CC(=O)CNC1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.74
ABCC9 O60706 8/20 0.65
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL9620891 1.00 ABCB1 (0.74) ABCB1ABCC9KDM4E
SCHEMBL8615279 0.91 ABCB1 (0.74) ABCB1ABCC9
SCHEMBL10916613 0.89 ABCB1 (0.65) ABCB1ABCC9KDM4E
SCHEMBL9620966 0.89 ABCB1 (0.65) ABCB1ABCC9KDM4E
SCHEMBL9532337 0.85 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9532318 0.85 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL8839473 0.85 ABCB1 (0.73) ABCB1ABCC9
SCHEMBL9273381 0.85 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9273375 0.85 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9273379 0.85 ABCC9 (0.78) ABCB1ABCC9KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP claimed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP disclosed
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP disclosed
US-4568692-A LOWERING BLOOD PRESSURE BEECHAM GROUP P.L.C. 1986-02-04 US disclosed
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 US disclosed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed