SCHEMBL2321

SCHEMBL2321

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.53
AGTR1 P30556 10/20 0.51
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL3138 0.87 AGTR1 (0.55) LTB4R2AGTR1ABCB11GP6
SCHEMBL2118 0.86 AGTR1 (0.55) LTB4R2AGTR1ABCB11GP6
SCHEMBL10033 0.85 AGTR1 (0.70) LTB4R2AGTR1ABCB11GP6
SCHEMBL2789 0.85 AGTR1 (0.55) LTB4R2AGTR1ABCB11GP6
SCHEMBL2969136 0.84 AGTR1 (0.58) LTB4R2AGTR1ABCB11GP6
SCHEMBL28456750 0.84 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL2673 0.84 AGTR1 (0.58) LTB4R2AGTR1ABCB11GP6
SCHEMBL2969141 0.84 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL3042 0.84 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL2510 0.83 AGTR1 (0.53) 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