SCHEMBL8486167

SCHEMBL8486167

CC(C)[C@@H](C(=O)O)N(Cc1ccc2nc(-c3ccccc3C(=O)O)ccc2c1)C(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
LTB4R2 Q9NPC1 8/20 0.38
F7 P08709 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PPARG P37231 1/20 0.35
DHODH Q02127 1/20 0.34
ABL1 P00519 1/20 0.34
LPAR1 Q92633 1/20 0.34
AGTR1 P30556 2/20 0.34
ABCB11 O95342 1/20 0.34
GP6 Q9HCN6 1/20 0.34

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
SCHEMBL8486999 0.96 NPSR1 (0.37) PDE7APDE7BLTB4R2F7TRPM8
SCHEMBL8807157 0.92 LTB4R2 (0.39) PDE7APDE7BLTB4R2F7DHODH
SCHEMBL8807629 0.89 NPSR1 (0.38) PDE7APDE7BLTB4R2
SCHEMBL8487982 0.88 LTB4R2 (0.44) PDE7APDE7BLTB4R2F7PPARG
SCHEMBL8484957 0.88 LTB4R2 (0.47) PDE7APDE7BLTB4R2F7TRPM8
SCHEMBL8481977 0.88 LTB4R2 (0.38) PDE7APDE7BLTB4R2F7TRPM8
SCHEMBL8811543 0.87 LTB4R2 (0.44) PDE7APDE7BLTB4R2F7PPARG
SCHEMBL8485364 0.85 LTB4R2 (0.48) PDE7APDE7BLTB4R2AGTR1ABCB11
SCHEMBL8486216 0.84 AGTR1 (0.36) LTB4R2ABL1AGTR1ABCB11GP6
SCHEMBL8486326 0.84 ALDH1A1 (0.49) PDE7APDE7BLTB4R2AGTR1ABCB11

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