SCHEMBL8488698

SCHEMBL8488698

CCCCC(=O)N(Cc1ccc2nc(-c3ccccc3C#N)ccc2c1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.42
LTB4R2 Q9NPC1 8/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
CXCR3 P49682 1/20 0.36
KIF11 P52732 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PABPC1 P11940 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF4H Q15056 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1809623 0.84 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL2140 0.84 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL29378073 0.84 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL8483523 0.84 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6KIF11
SCHEMBL8807370 0.83 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6CXCR3
SCHEMBL8483362 0.83 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6
SCHEMBL8483566 0.83 FFAR1 (0.42) AGTR1LTB4R2ABCB11GP6
SCHEMBL2441623 0.81 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6
SCHEMBL8487504 0.79 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6TSHR
SCHEMBL8808708 0.78 CTSL (0.37) MAPTMEN1USP2PABPC1TSHR

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