SCHEMBL9042913

SCHEMBL9042913

CCCCc1nc2ccc(NCC(=O)OCC)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 0.54
PPARG P37231 1/20 0.49

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
SCHEMBL9041189 0.91 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9042708 0.90 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL8395756 0.89 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL9043344 0.89 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9040947 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9043513 0.89 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9043304 0.89 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9040244 0.87 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9042467 0.87 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9041655 0.87 AGTR1 (0.61) 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 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