SCHEMBL7312115

SCHEMBL7312115

CCCc1nc2c(C)cc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.49
AGTR2 P50052 1/20 0.49
EDNRA P25101 1/20 0.46

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
SCHEMBL7313296 0.96 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7301773 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8788599 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL682572 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL683728 0.85 AGTR1 (0.48) AGTR1AGTR2EDNRA
SCHEMBL8788936 0.84 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL4881131 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL3637013 0.83 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL7313039 0.83 PPARG (0.56) AGTR1AGTR2
SCHEMBL8789134 0.83 AGTR1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
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