SCHEMBL6823196

SCHEMBL6823196

CC(C)CN1C(=O)CSC1c1cnccc1-c1cccc(Br)c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.78

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
SCHEMBL6823344 0.89 CACNA1B (0.79) CACNA1B
SCHEMBL5155389 0.88 CACNA1B (1.00) CACNA1B
SCHEMBL6823294 0.88 CACNA1B (1.00) CACNA1B
SCHEMBL6823497 0.85 CACNA1B (0.87) CACNA1B
SCHEMBL11932011 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL6820359 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL6823600 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL6820368 0.82 CACNA1B (1.00) CACNA1B
SCHEMBL6820434 0.82 CACNA1B (1.00) CACNA1B
SCHEMBL5155550 0.81 CACNA1B (0.72) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004017966-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed