SCHEMBL9515858

SCHEMBL9515858

COc1ccc([C@@H]2Cc3cc(C(F)(F)F)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CACNA1S Q13698 20/20 0.71

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
SCHEMBL9515867 1.00 CACNA1S (0.71) CACNA1S
SCHEMBL9515873 1.00 CACNA1S (0.71) CACNA1S
SCHEMBL10582457 0.90 CACNA1S (0.61) CACNA1S
SCHEMBL10672309 0.90 CACNA1S (0.66) CACNA1S
SCHEMBL10670000 0.90 CACNA1S (0.67) CACNA1S
SCHEMBL10672327 0.90 CACNA1S (0.66) CACNA1S
SCHEMBL10669990 0.90 CACNA1S (0.67) CACNA1S
SCHEMBL10672319 0.90 CACNA1S (0.66) CACNA1S
SCHEMBL10669994 0.90 CACNA1S (0.67) CACNA1S
SCHEMBL10582450 0.90 CACNA1S (0.61) CACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229329-B1 BENZAZEPINE DERIVATIVES E.R. Squibb & Sons, Inc. (US) 1993-07-28 — — EP claimed
US-4752645-A Benzazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1988-06-21 — — US claimed
EP-0229329-A1 Benzazepine derivatives E.R. Squibb & Sons, Inc. (US) 1987-07-22 — — EP claimed
EP-0229329-B1 BENZAZEPINE DERIVATIVES E.R. Squibb & Sons, Inc. (US) 1993-07-28 — — EP disclosed
US-4752645-A Benzazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1988-06-21 — — US disclosed
EP-0229329-A1 Benzazepine derivatives E.R. Squibb & Sons, Inc. (US) 1987-07-22 — — EP disclosed
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