SCHEMBL7267442

SCHEMBL7267442

CC[S+]([O-])C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 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
SCHEMBL7267485 0.87 CACNA1B (0.53) CACNA1B
SCHEMBL7272104 0.85 CACNA1B (0.53) CACNA1B
SCHEMBL7267660 0.84 CACNA1F (0.48) CACNA1B
SCHEMBL7272327 0.84 CACNA1F (0.60) CACNA1B
SCHEMBL7266744 0.84 CACNA1F (0.48) CACNA1B
SCHEMBL4503644 0.83 CACNA1B (0.65) CACNA1B
SCHEMBL7272429 0.81 CACNA1B (0.41) CACNA1B
SCHEMBL7267403 0.81 ALDH1A1 (0.40) CACNA1B
SCHEMBL7275738 0.80 TSHR (0.52) CACNA1B
SCHEMBL7275522 0.79 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed