SCHEMBL7474229

SCHEMBL7474229

CCc1ccc2c(c1)[C@H](N)[C@@H](O)C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.41
▸ KCNE1 P15382 10/20 0.40
▸ KCNQ1 P51787 10/20 0.40
▸ ABCB1 P08183 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCND3 Q9UK17 1/20 0.38

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
SCHEMBL7474225 1.00 KCNA5 (0.41) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL7474233 1.00 KCNA5 (0.41) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL2824110 0.83 SELL (0.39) KCNA5KCNE1KCNQ1ABCB1CYP3A4
SCHEMBL9197844 0.80 HTR1A (0.39) KCNE1KCNQ1ABCB1MEN1CYP1A2
SCHEMBL9197856 0.80 HTR1A (0.39) KCNE1KCNQ1ABCB1MEN1CYP1A2
SCHEMBL9197846 0.80 HTR1A (0.39) KCNE1KCNQ1ABCB1MEN1CYP1A2
SCHEMBL9363912 0.79 KCNA5 (0.49) KCNA5ABCB1
SCHEMBL9581830 0.79 KCNA5 (0.39) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL9581848 0.79 KCNA5 (0.39) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL9581839 0.79 KCNA5 (0.39) KCNA5KCNE1KCNQ1ABCB1MEN1

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 12 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 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
EP-0426379-B1 Substituted cyclobutenedione compounds BEECHAM GROUP PLC (GB) 1994-12-21 — — EP disclosed
EP-0412760-B1 Benzopyran derivatives BEECHAM GROUP PLC (GB) 1994-11-23 — — EP 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
US-5232938-A For treatment of respiratory tract disorders, hypertension and urinary tract disorders BEECHAM GROUP P.L.C. (GB) 1993-08-03 — — US disclosed
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 — — EP disclosed
US-5147866-A Hypotensive, bronchodilator agents BEECHAM GROUP P.L.C. (GB) 1992-09-15 — — US disclosed
EP-0426379-A2 Substituted cyclobutenedione compounds Beecham Group p.l.c. (GB) 1991-05-08 — — EP disclosed
EP-0412760-A2 Benzopyran derivatives Beecham Group p.l.c. (GB) 1991-02-13 — — EP disclosed
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