SCHEMBL3512

SCHEMBL3512

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.39
AGTR1 P30556 11/20 0.38
AGTR2 P50052 3/20 0.36
ABCB11 O95342 1/20 0.36
GP6 Q9HCN6 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3328 0.88 LTB4R2 (0.42) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL3148 0.84 AGTR1 (0.46) LTB4R2AGTR1ABCB11GP6
SCHEMBL2500 0.83 LTB4R2 (0.49) LTB4R2AGTR1ABCB11GP6
SCHEMBL2410 0.79 TNKS (0.35) LTB4R2AGTR1AGTR2
SCHEMBL2501 0.79 LTB4R2 (0.49) LTB4R2AGTR1ABCB11GP6
SCHEMBL2950 0.76 AGTR1 (0.61) LTB4R2AGTR1ABCB11GP6
SCHEMBL14193717 0.76 AGTR1 (0.61) LTB4R2AGTR1ABCB11GP6
SCHEMBL2691 0.76 AGTR1 (0.61) LTB4R2AGTR1ABCB11GP6
SCHEMBL7271546 0.75 AGTR1 (0.62) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL7271536 0.75 AGTR1 (0.62) LTB4R2AGTR1AGTR2ABCB11GP6

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
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
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