SCHEMBL8482249

SCHEMBL8482249

CCCCC(=O)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)[C@H](C(=O)OC)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.63
LTB4R2 Q9NPC1 6/20 0.51
ABCB11 O95342 1/20 0.51
GP6 Q9HCN6 1/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.39

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
SCHEMBL29669823 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2251 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2373 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2252 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL8806218 0.91 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487102 0.91 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8813643 0.89 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487726 0.86 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL2353 0.86 AGTR1 (0.65) AGTR1LTB4R2ABCB11GP6
SCHEMBL8485808 0.86 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed