SCHEMBL8487828

SCHEMBL8487828

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.45
LTB4R2 Q9NPC1 3/20 0.37
ABCB11 O95342 1/20 0.37
GP6 Q9HCN6 1/20 0.37
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8482149 0.94 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8488255 0.94 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8487025 0.92 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6USP2
SCHEMBL8481890 0.89 ALDH1A1 (0.39) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8485885 0.88 AGTR1 (0.36) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8483656 0.88 AGTR1 (0.36) AGTR1LTB4R2
SCHEMBL8487083 0.87 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8806563 0.87 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8484261 0.87 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8487111 0.87 AGTR1 (0.34) AGTR1LMNAMEN1KMT2A

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