SCHEMBL13010641

SCHEMBL13010641

CCCc1cc2c(cn1)nc(Cn1ccnc1-c1nccs1)n2CCF

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.37
LYN P07948 1/20 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
SCHEMBL3069777 0.92 AGTR2 (0.39) AGTR2LYN
SCHEMBL3060957 0.85 AGTR2 (0.39) AGTR2LYN
SCHEMBL3049357 0.84 LYN (0.36) AGTR2LYN
SCHEMBL3410014 0.80 AGTR2 (0.34) AGTR2LYN
SCHEMBL3054939 0.80 AGTR2 (0.39) AGTR2LYN
SCHEMBL3069896 0.79 LYN (0.37) AGTR2LYN
SCHEMBL3064173 0.78 AGTR2 (0.38) AGTR2LYN
SCHEMBL3060424 0.78 KCNH2 (0.34) AGTR2LYN
SCHEMBL3065488 0.77 S1PR1 (0.36) AGTR2LYN
SCHEMBL3070338 0.77 LYN (0.36) AGTR2LYN

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