SCHEMBL7472242

SCHEMBL7472242

CC1(C)Oc2ccc(C#N)cc2C(NCCC(=O)c2ccc(F)cc2)C1O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.61
ABCB1 P08183 10/20 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
SCHEMBL7472234 1.00 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL7472250 1.00 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL7476856 0.90 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL7476866 0.90 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL7476861 0.90 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL9620966 0.85 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL10916613 0.85 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL7479109 0.84 KCNA5 (0.45) ABCC9ABCB1
SCHEMBL7479115 0.84 KCNA5 (0.45) ABCC9ABCB1
SCHEMBL7479126 0.84 KCNA5 (0.45) ABCC9ABCB1

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-0587645-B1 BENZO- AND PYRIDOPYRAN DERIVATIVES HAVING ANXIOLYTIC AND ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2002-02-27 EP claimed
WO-1994012173-A1 BENZOPYRON ANALOGUES FOR THE TREATMENT OF ANXIETY, MANIA, DEPRESSION OR WITHDRAWAL SYMPTOMS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO claimed
EP-0587645-B1 BENZO- AND PYRIDOPYRAN DERIVATIVES HAVING ANXIOLYTIC AND ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2002-02-27 EP disclosed
EP-1108718-A2 Trans-6-Acetyl-4S-(4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3R-ol SMITHKLINE BEECHAM PLC (GB) 2001-06-20 EP disclosed
US-5889044-A Benzo- and pyridopyran derivatives having anxiolytic and anti-convulsant activity SMITHKLINE BEECHAM P.L.C. (GB) 1999-03-30 US disclosed
US-5624954-A Benzo- and pyridopyran derivatives having anxiolytic and anti-convulsant activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-04-29 US disclosed
WO-1994012173-A1 BENZOPYRON ANALOGUES FOR THE TREATMENT OF ANXIETY, MANIA, DEPRESSION OR WITHDRAWAL SYMPTOMS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO disclosed