SCHEMBL7303149

SCHEMBL7303149

CCCc1nc2ccc(-c3ccc4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.51
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48

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
SCHEMBL8874726 0.97 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL7309240 0.95 AGTR1 (0.55) PPARGAGTR1AGTR2
SCHEMBL7305147 0.89 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL7304644 0.88 PPARG (0.53) PPARG
SCHEMBL7306523 0.87 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL8789878 0.87 PPARG (0.51) PPARG
SCHEMBL9194632 0.87 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8789432 0.85 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL7300881 0.84 PPARG (0.48) PPARG
SCHEMBL7309378 0.83 AGTR1 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed