SCHEMBL8788720

SCHEMBL8788720

CCCCc1nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3CCCC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.65
AGTR2 P50052 1/20 0.65
PPARG P37231 3/20 0.62

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
SCHEMBL8788729 0.89 EDNRA (0.52) AGTR1AGTR2PPARG
SCHEMBL8788635 0.89 PPARG (0.67) AGTR1AGTR2PPARG
SCHEMBL8789150 0.87 PPARG (0.68) AGTR1AGTR2PPARG
SCHEMBL8790180 0.87 PPARG (0.77) AGTR1AGTR2PPARG
SCHEMBL8907873 0.84 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL8790696 0.83 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL8789354 0.82 PPARG (0.72) AGTR1AGTR2PPARG
SCHEMBL9095608 0.81 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL8397131 0.81 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8392240 0.81 AGTR1 (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed