SCHEMBL8484261

SCHEMBL8484261

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.42
LTB4R2 Q9NPC1 3/20 0.42
ABCB11 O95342 1/20 0.42
GP6 Q9HCN6 1/20 0.42
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
F7 P08709 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30

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
SCHEMBL8487025 0.94 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8488255 0.92 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8806563 0.92 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL8807131 0.91 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
SCHEMBL8488204 0.91 ALDH1A1 (0.44) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8808964 0.90 AGTR1 (0.38) AGTR1LTB4R2ABCB11GP6
SCHEMBL8486216 0.90 AGTR1 (0.36) AGTR1LTB4R2ABCB11GP6LMNA
SCHEMBL8488010 0.88 AGTR1 (0.36) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8486014 0.88 AGTR1 (0.38) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8486308 0.87 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6ALDH1A1

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 5 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
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