SCHEMBL8488255

SCHEMBL8488255

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
LTB4R2 Q9NPC1 3/20 0.33
ABCB11 O95342 1/20 0.33
GP6 Q9HCN6 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
TSHR P16473 1/20 0.30
PSMB5 P28074 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
SCHEMBL8487828 0.94 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8484261 0.92 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6SLC6A2
SCHEMBL8482149 0.92 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8481890 0.92 ALDH1A1 (0.39) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8483656 0.90 AGTR1 (0.36) AGTR1LTB4R2SLC6A2SLC6A4SLC6A3
SCHEMBL8487111 0.89 AGTR1 (0.34) AGTR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8485885 0.88 AGTR1 (0.36) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8483014 0.88 AGTR1 (0.35) AGTR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8482164 0.87 TSHR (0.35) AGTR1KCNH2ITGB1ITGAVALDH1A1
SCHEMBL8486870 0.86 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6SLC6A2

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