SCHEMBL6823564

SCHEMBL6823564

CC(C)CN1C(=O)CSC1c1sccc1Br

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.49

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
SCHEMBL5149541 0.77 CACNA1B (0.61) CACNA1B
SCHEMBL5149689 0.77 KMT2A (0.44) CACNA1B
SCHEMBL6823921 0.76 CACNA1B (0.64) CACNA1B
SCHEMBL5153085 0.74 MEN1 (0.46) CACNA1B
SCHEMBL5151454 0.73 CACNA1B (0.72) CACNA1B
SCHEMBL5155550 0.73 CACNA1B (0.72) CACNA1B
SCHEMBL5156308 0.73 CACNA1B (0.59) CACNA1B
SCHEMBL5153232 0.73 CACNA1B (0.56) CACNA1B
SCHEMBL5156506 0.71 CACNA1B (0.61) CACNA1B
SCHEMBL6820486 0.71 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