SCHEMBL3319

SCHEMBL3319

CCCCOC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.48
LTB4R2 Q9NPC1 3/20 0.46
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46
AGTR2 P50052 7/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FSHR P23945 1/20 0.36

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
SCHEMBL3215 0.95 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2423 0.92 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3085 0.92 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2482 0.92 ALDH1A1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL14193717 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2950 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2691 0.89 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL3362 0.89 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3048 0.87 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3117 0.87 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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