SCHEMBL13010259

SCHEMBL13010259

NCn1c(Cn2ccnc2-c2nccs2)nc2cnc(C(F)(F)F)cc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.30

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
SCHEMBL3065488 0.90 S1PR1 (0.36) AGTR2
SCHEMBL3066084 0.83 LYN (0.35) AGTR2
SCHEMBL3069896 0.77 LYN (0.37) AGTR2
SCHEMBL13010641 0.76 AGTR2 (0.37) AGTR2
SCHEMBL3049357 0.75 LYN (0.36) AGTR2
SCHEMBL3055160 0.75 S1PR1 (0.38) AGTR2
SCHEMBL3070006 0.74 S1PR1 (0.38)
SCHEMBL3069777 0.74 AGTR2 (0.39) AGTR2
SCHEMBL3063261 0.74 AGTR2 (0.35) AGTR2
SCHEMBL3054836 0.74 AGTR2 (0.34) AGTR2

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
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed