SCHEMBL8847804

SCHEMBL8847804

CCCCNC(=O)CNc1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.75
AGTR2 P50052 9/20 0.75
PPARG P37231 1/20 0.63

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
SCHEMBL8847966 0.98 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8847843 0.91 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL7305560 0.89 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL8847432 0.87 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL8848302 0.87 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL7304967 0.87 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL7301961 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8848459 0.85 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL8847655 0.85 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8391868 0.85 AGTR1 (0.67) 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
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