SCHEMBL7476940

SCHEMBL7476940

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.80
ABCB1 P08183 5/20 0.57
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL3304163 0.90 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL7481849 0.90 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL3305829 0.90 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL7479202 0.90 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL7479207 0.90 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL8341346 0.89 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341353 0.89 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341342 0.89 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341798 0.88 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8341802 0.88 ABCC9 (1.00) 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