SCHEMBL3272

SCHEMBL3272

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C1CCCC(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 9/20 0.56
AGTR1 P30556 11/20 0.44
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL3352 0.91 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL1990 0.91 LTB4R2 (0.56) LTB4R2AGTR1ABCB11GP6SLC6A2
SCHEMBL1988 0.91 LTB4R2 (0.56) LTB4R2AGTR1ABCB11GP6SLC6A2
SCHEMBL2457 0.86 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL2456 0.86 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL2152 0.81 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL2151 0.81 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL2930 0.81 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL8260354 0.78 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL686541 0.78 AGTR1 (0.52) LTB4R2AGTR1ABCB11GP6

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