SCHEMBL2151

SCHEMBL2151

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H]1CCCC[C@H]1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.50
AGTR1 P30556 11/20 0.43
ABCB11 O95342 1/20 0.39
GP6 Q9HCN6 1/20 0.39

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
SCHEMBL2930 1.00 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL2152 1.00 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL2457 0.91 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL2456 0.91 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL7271019 0.88 LTB4R2 (0.47) LTB4R2AGTR1ABCB11GP6
SCHEMBL3352 0.87 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL1988 0.81 LTB4R2 (0.56) LTB4R2AGTR1ABCB11GP6
SCHEMBL2307 0.81 LTB4R2 (0.54) LTB4R2AGTR1
SCHEMBL2306 0.81 LTB4R2 (0.54) LTB4R2AGTR1
SCHEMBL1990 0.81 LTB4R2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed