SCHEMBL9532318

SCHEMBL9532318

CC(=O)N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.78
ABCB1 P08183 9/20 0.68
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL9273381 1.00 ABCC9 (0.78) ABCC9ABCB1KDM4E
SCHEMBL9532337 1.00 ABCC9 (0.78) ABCC9ABCB1KDM4E
SCHEMBL9273379 1.00 ABCC9 (0.78) ABCC9ABCB1KDM4E
SCHEMBL9273375 1.00 ABCC9 (0.78) ABCC9ABCB1KDM4E
SCHEMBL10766526 0.90 ABCC9 (0.82) ABCC9ABCB1KDM4E
SCHEMBL10766525 0.90 ABCC9 (0.82) ABCC9ABCB1KDM4E
SCHEMBL9358552 0.90 ABCC9 (0.75) ABCC9ABCB1
SCHEMBL9358561 0.90 ABCC9 (0.75) ABCC9ABCB1
SCHEMBL9354137 0.89 ABCC9 (0.73) ABCC9ABCB1
SCHEMBL9397690 0.89 ABCB1 (0.67) ABCC9ABCB1KDM4E

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 16 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
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 US claimed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed
EP-0271271-B1 PHARMACEUTICAL PREPARATIONS BEECHAM GROUP PLC (GB) 1992-01-15 EP disclosed
EP-0207614-B1 BENZOPYRAN COMPOUNDS IN THE TREATMENT OF INCONTINENCE BEECHAM GROUP PLC (GB) 1991-09-25 EP disclosed
EP-0138134-B1 CHROMAN DERIVATIVES BEECHAM GROUP PLC (GB) 1989-04-19 EP disclosed
EP-0271271-A2 Pharmaceutical preparations BEECHAM GROUP PLC (GB) 1988-06-15 EP disclosed
US-4738963-A NITROGEN SUBSTITUTED BENZO(B)PYRAN BEECHAM GROUP P.L.C. (GB) 1988-04-19 US disclosed
US-4677116-A Antihypertensive chroman derivatives BEECHAM GROUP P.L.C. (GB) 1987-06-30 US disclosed
EP-0207614-A2 Benzopyran compounds in the treatment of incontinence BEECHAM GROUP PLC (GB) 1987-01-07 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
EP-0138134-A2 Chroman derivatives BEECHAM GROUP PLC (GB) 1985-04-24 EP 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