SCHEMBL7429629

SCHEMBL7429629

COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 12/20 0.68
CYP3A4 P08684 3/20 0.57
TSHR P16473 2/20 0.57
ABCB11 O95342 2/20 0.57
LMNA P02545 2/20 0.57
KCNH2 Q12809 2/20 0.57
SLC22A1 O15245 1/20 0.57
CACNA1F O60840 1/20 0.57
ABCB1 P08183 1/20 0.57
HRH2 P25021 1/20 0.57
ADRA1A P35348 1/20 0.57
SCN1A P35498 1/20 0.57
SCN4A P35499 1/20 0.57
HTT P42858 1/20 0.57
SCN7A Q01118 1/20 0.57
CACNA1D Q01668 1/20 0.57
PLAUR Q03405 1/20 0.57
CACNA1C Q13936 1/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57

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
SCHEMBL7429621 1.00 CACNA1S (0.68) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL7429614 1.00 CACNA1S (0.68) CACNA1SCYP3A4TSHRABCB11LMNA
Hydrochloric Acid SCHEMBL11091156 0.99 CACNA1S (0.67) CACNA1SCYP3A4TSHRABCB11LMNA
Hydrochloric Acid SCHEMBL10914928 0.99 CACNA1S (0.67) CACNA1SCYP3A4TSHRABCB11LMNA
Hydrochloric Acid SCHEMBL10831016 0.99 CACNA1S (0.67) CACNA1SCYP3A4TSHRABCB11LMNA
Acetic Acid SCHEMBL9853367 0.96 CACNA1S (0.65) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL7295775 0.93 CACNA1S (0.66) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL7293674 0.93 CACNA1S (0.66) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL9503765 0.92 CACNA1S (0.60) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL10831035 0.92 CACNA1S (0.57) CACNA1SCYP3A4TSHRABCB11LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61103877-A None JP disclosed
US-5387581-A Pharmaceutical composition of aspirin and a benzothiazepine for inhibiting platelet aggregation TANABE SEIYAKU CO. LTD. (JP) 1995-02-07 US disclosed
EP-0476854-B1 Pharmaceutical composition for inhibiting platelet aggregation TANABE SEIYAKU CO (JP) 1994-06-08 EP disclosed
US-5134139-A Antiarrhythmia agents, blood metal antagonist, hypotensive agents or vasodilator agents TANABE SEIYAKU CO., LTD. (JP) 1992-07-28 US disclosed
EP-0476854-A1 Pharmaceutical composition for inhibiting platelet aggregation TANABE SEIYAKU CO., LTD. (JP) 1992-03-25 EP disclosed
EP-0416479-A1 1,5-Benzothiazepine derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-03-13 EP disclosed
EP-0127882-B1 NOVEL 8-CHLORO-1,5-BENZOTHIAZEPINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1986-10-15 EP disclosed
JP-S61103877-A BENZOTHIAZEPINE DERIVATIVE AND ITS PREPARATION TANABE SEIYAKU CO LTD 1986-05-22 JP disclosed
US-4567175-A HYPOTENSIVE AGENTS, CORONARY OR CEREBRAL VASODILATORS TANABE SEIYAKU CO., LTD. (JP) 1986-01-28 US disclosed
EP-0127882-A1 Novel 8-chloro-1,5-benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-12 EP disclosed