SCHEMBL9045899

SCHEMBL9045899

CCCCc1nc2ccc(C)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.60
AGTR2 P50052 1/20 0.60
PPARG P37231 7/20 0.57
EDNRA P25101 1/20 0.56

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
SCHEMBL9043590 0.93 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9042283 0.93 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL9042978 0.91 PPARG (0.60) AGTR1AGTR2PPARGEDNRA
SCHEMBL9042244 0.91 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9041556 0.90 AGTR1 (0.64) AGTR1AGTR2PPARG
SCHEMBL8788433 0.90 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL9042669 0.90 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9041377 0.90 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9040108 0.90 PPARG (0.63) AGTR1AGTR2PPARGEDNRA
SCHEMBL9043113 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG

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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed