SCHEMBL6823877

SCHEMBL6823877

O=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1Cc1cc(F)cc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 19/20 0.67
MAPT P10636 1/20 0.50

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
SCHEMBL5155054 0.92 CACNA1B (0.70) CACNA1BMAPT
SCHEMBL5174700 0.91 CACNA1B (0.64) CACNA1BMAPT
SCHEMBL5152390 0.91 CACNA1B (0.66) CACNA1BMAPT
SCHEMBL6820381 0.85 CACNA1B (0.64) CACNA1BMAPT
SCHEMBL6826012 0.83 CACNA1B (0.78) CACNA1B
SCHEMBL6823264 0.82 CACNA1B (0.65) CACNA1B
SCHEMBL6820321 0.81 CACNA1B (0.72) CACNA1B
SCHEMBL6824347 0.81 CACNA1B (0.71) CACNA1B
SCHEMBL5155389 0.81 CACNA1B (1.00) CACNA1B
SCHEMBL6824205 0.80 CACNA1B (0.70) 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