SCHEMBL9754827

SCHEMBL9754827

CCCc1nc2c(C)cc(C(=O)O)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.51
AGTR2 P50052 5/20 0.48
EDNRA P25101 1/20 0.47

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
SCHEMBL9754828 0.89 AGTR1 (0.45) AGTR1AGTR2EDNRA
SCHEMBL3640446 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL3636583 0.81 AGTR1 (0.59) AGTR1EDNRA
SCHEMBL3642622 0.80 PPARG (0.56) AGTR1AGTR2
SCHEMBL3637726 0.79 PPARG (0.59) AGTR1AGTR2
SCHEMBL9703532 0.79 AGTR1 (0.52) AGTR1AGTR2EDNRA
SCHEMBL9655664 0.79 AGTR1 (0.54) AGTR1AGTR2EDNRA
SCHEMBL5814612 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL3637013 0.76 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9854231 0.76 AGTR1 (0.49) AGTR1AGTR2

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-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 WO disclosed