SCHEMBL8486014

SCHEMBL8486014

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.38
ABCB11 O95342 1/20 0.38
GP6 Q9HCN6 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8488204 0.94 ALDH1A1 (0.44) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8485885 0.92 AGTR1 (0.36) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8484301 0.88 AGTR1 (0.44) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8487025 0.88 AGTR1 (0.47) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8484261 0.88 AGTR1 (0.42) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8488010 0.88 AGTR1 (0.36) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8806563 0.87 AGTR1 (0.53) AGTR1ABCB11GP6LTB4R2
SCHEMBL8807131 0.86 AGTR1 (0.50) AGTR1ABCB11GP6LTB4R2
SCHEMBL8481890 0.86 ALDH1A1 (0.39) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8482879 0.85 ALDH1A1 (0.41) AGTR1ABCB11GP6LTB4R2ALDH1A1

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