SCHEMBL8485808

SCHEMBL8485808

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.54
LTB4R2 Q9NPC1 5/20 0.54
ABCB11 O95342 1/20 0.54
GP6 Q9HCN6 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL8806218 0.95 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8813643 0.94 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8486308 0.93 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487083 0.91 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL28403471 0.91 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL684206 0.91 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL8482053 0.89 ALDH1A1 (0.46) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8484301 0.88 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8487025 0.88 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8482866 0.88 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6TRPV1

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 7 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 claimed
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP claimed
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP 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
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed