SCHEMBL3423

SCHEMBL3423

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C1(C(=O)O)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.49
AGTR1 P30556 12/20 0.49
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46
AGTR2 P50052 1/20 0.40

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
SCHEMBL2375 0.99 LTB4R2 (0.49) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL8485466 0.92 LTB4R2 (0.42) LTB4R2AGTR1ABCB11GP6
SCHEMBL8485020 0.91 LTB4R2 (0.41) LTB4R2AGTR1ABCB11GP6
SCHEMBL1993 0.91 LTB4R2 (0.45) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL3077 0.90 LTB4R2 (0.44) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL8474590 0.86 AGTR1 (0.43) LTB4R2AGTR1ABCB11GP6
Abitesartan SCHEMBL2527 0.85 AGTR1 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL3104 0.84 AGTR1 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL8483198 0.84 PTGDR2 (0.38) LTB4R2AGTR1ABCB11GP6
SCHEMBL8481903 0.84 PTGDR2 (0.38) 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