SCHEMBL8813917

SCHEMBL8813917

CCCCCC(=O)N(Cc1ccc2cc(-c3ccccc3C(=O)O)ccc2c1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 17/20 0.62
AGTR1 P30556 5/20 0.54
ABCB11 O95342 1/20 0.54
GP6 Q9HCN6 1/20 0.54

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
SCHEMBL8814207 0.97 LTB4R2 (0.66) LTB4R2AGTR1ABCB11GP6
SCHEMBL8485968 0.93 LTB4R2 (0.57) LTB4R2AGTR1ABCB11GP6
SCHEMBL8486272 0.91 LTB4R2 (0.64) LTB4R2AGTR1
SCHEMBL683480 0.90 LTB4R2 (0.75) LTB4R2AGTR1ABCB11GP6
SCHEMBL8811635 0.89 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL8809075 0.88 LTB4R2 (0.53) LTB4R2AGTR1ABCB11GP6
SCHEMBL2365 0.87 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL2364 0.87 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL8811767 0.85 ALDH1A1 (0.53) LTB4R2AGTR1ABCB11GP6
SCHEMBL8487913 0.84 LTB4R2 (0.59) LTB4R2AGTR1

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
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