SCHEMBL7479217

SCHEMBL7479217

CCC(=O)c1ccc2c(c1)[C@H](NCC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ABCC9 O60706 1/20 0.43
KCNE1 P15382 3/20 0.43
KCNQ1 P51787 3/20 0.43

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
SCHEMBL7479224 1.00 ABCB1 (0.46) ABCB1ABCC9KCNE1KCNQ1
SCHEMBL7481161 1.00 ABCB1 (0.46) ABCB1ABCC9KCNE1KCNQ1
SCHEMBL7485778 0.90 ABCB1 (0.47) ABCB1ABCC9
SCHEMBL7478768 0.90 ABCB1 (0.47) ABCB1ABCC9
SCHEMBL7478764 0.90 ABCB1 (0.47) ABCB1ABCC9
SCHEMBL7477727 0.89 KCNA5 (0.49) ABCB1ABCC9
SCHEMBL7480334 0.89 KCNA5 (0.49) ABCB1ABCC9
SCHEMBL7477716 0.89 KCNA5 (0.49) ABCB1ABCC9
SCHEMBL7475675 0.87 ABCC9 (0.59) ABCC9
SCHEMBL7477937 0.87 ABCC9 (0.59) ABCC9

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 9 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-A1 BENZO- AND PYRIDOPYRAN DERIVATIVES HAVING ANXIOLYTIC AND ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-03-23 EP claimed
WO-1992022293-A1 BENZO- AND PYRIDOPYRAN DERIVATIVES HAVING ANXIOLYTIC AND ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1992-12-23 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