SCHEMBL3017

SCHEMBL3017

CCCCS(=O)(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.49
LTB4R2 Q9NPC1 4/20 0.49
ABCB11 O95342 1/20 0.49
GP6 Q9HCN6 1/20 0.49
ADAMTS4 O75173 1/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 2/20 0.41
AGTR2 P50052 2/20 0.38
MMP12 P39900 1/20 0.37

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
SCHEMBL3016 1.00 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL3514 0.91 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3513 0.91 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7279125 0.83 AGTR1 (0.39) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3026 0.83 AGTR1 (0.39) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477037 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2773 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL157179 0.82 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.82 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.82 AGTR1 (0.72) 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 2 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
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed