SCHEMBL8806563

SCHEMBL8806563

CCCCC(=O)N(Cc1ccc2nc(-c3ccccc3-c3nnn[nH]3)ccc2c1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.53
LTB4R2 Q9NPC1 6/20 0.53
ABCB11 O95342 1/20 0.53
GP6 Q9HCN6 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL8807131 0.98 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487025 0.95 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8484261 0.92 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6
SCHEMBL8483523 0.91 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8482149 0.90 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8488204 0.88 ALDH1A1 (0.44) AGTR1LTB4R2ABCB11GP6
SCHEMBL8806218 0.88 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487828 0.87 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8808964 0.87 AGTR1 (0.38) AGTR1LTB4R2ABCB11GP6
SCHEMBL8486014 0.87 AGTR1 (0.38) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US claimed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP claimed
JP-5230022-A None JP 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
JP-H05230022-A N-ACYL-N-HETEROCYCLIC ALKYLAMINO ACID, ITS PREPARATION AND ITS COMPOSITION CIBA GEIGY AG 1993-09-07 JP 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