SCHEMBL7481999

SCHEMBL7481999

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.69
▸ ABCB1 P08183 8/20 0.56

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
SCHEMBL7480578 0.89 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL7479401 0.89 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL7480998 0.89 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL7479202 0.87 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL7481849 0.87 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL3305829 0.87 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL7479207 0.87 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL3304163 0.87 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL3305597 0.84 ABCC9 (0.79) ABCC9ABCB1
SCHEMBL3305600 0.84 ABCC9 (0.79) 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 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
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