SCHEMBL6824347

SCHEMBL6824347

C=CCN1C(=O)CSC1c1cnccc1-c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 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
SCHEMBL6826012 0.86 CACNA1B (0.78) CACNA1B
SCHEMBL6820321 0.84 CACNA1B (0.72) CACNA1B
SCHEMBL5155389 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL6824205 0.82 CACNA1B (0.70) CACNA1B
SCHEMBL5155054 0.82 CACNA1B (0.70) CACNA1B
SCHEMBL5149669 0.82 CACNA1B (0.69) CACNA1B
SCHEMBL6824679 0.81 CACNA1B (0.71) CACNA1B
SCHEMBL6823903 0.81 CACNA1B (0.81) CACNA1B
SCHEMBL6823877 0.81 CACNA1B (0.67) CACNA1B
SCHEMBL5151543 0.80 CACNA1B (0.69) 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