SCHEMBL1700

SCHEMBL1700

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1)C(CO)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.53
LTB4R2 Q9NPC1 9/20 0.43
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43

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
SCHEMBL684204 0.91 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6
SCHEMBL3187 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL3188 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL2198 0.82 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6
SCHEMBL29846453 0.82 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL1322442 0.82 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL27898249 0.82 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL389245 0.82 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2178 0.82 AGTR1 (0.74) AGTR1LTB4R2ABCB11GP6
SCHEMBL2820 0.82 AGTR1 (0.74) AGTR1LTB4R2ABCB11GP6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed