SCHEMBL324379

SCHEMBL324379

[CH2]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.56
TAS2R14 Q9NYV8 1/20 0.55
BLM P54132 1/20 0.52
SLC22A12 Q96S37 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL17658051 0.88 BLM (0.63) ARTAS2R14BLMSLC22A12
SCHEMBL5247689 0.86 TAS2R14 (0.60) ARTAS2R14BLMSLC22A12
SCHEMBL14289402 0.85 AR (0.59) ARCYP2C19
SCHEMBL2980069 0.85 AR (0.59) ARCYP2C19
SCHEMBL18187538 0.85 AR (0.59) ARTAS2R14BLMSLC22A12
SCHEMBL19529658 0.84 AR (0.52) ARTAS2R14SLC22A12
SCHEMBL21924973 0.84 TGM2 (0.54) ARTAS2R14BLM
SCHEMBL29415541 0.83 AR (0.52) ARTAS2R14CYP2C19
SCHEMBL202386 0.83 AR (0.52) ARTAS2R14CYP2C19
SCHEMBL202266 0.83 AR (0.52) ARTAS2R14BLMCYP2C19

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
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed