SCHEMBL1975

SCHEMBL1975

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Br)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.48
LTB4R2 Q9NPC1 8/20 0.46
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46

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
SCHEMBL2400 1.00 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6
SCHEMBL7270259 0.90 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL7270257 0.90 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL14193717 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2950 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2691 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL1976 0.87 AGTR1 (0.36) AGTR1LTB4R2ABCB11GP6
SCHEMBL5949176 0.84 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL5949171 0.84 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL2779 0.82 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed