SCHEMBL8477472

SCHEMBL8477472

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 12/20 0.54
AGTR1 P30556 10/20 0.49
ABCB11 O95342 1/20 0.49
GP6 Q9HCN6 1/20 0.49

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
SCHEMBL2559 0.90 AGTR1 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL1810051 0.87 AGTR1 (0.64) LTB4R2AGTR1ABCB11GP6
SCHEMBL1810055 0.87 AGTR1 (0.64) LTB4R2AGTR1ABCB11GP6
SCHEMBL7272306 0.87 AGTR1 (0.63) LTB4R2AGTR1ABCB11GP6
SCHEMBL10057910 0.82 AGTR1 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL8241866 0.82 AGTR1 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL8383192 0.81 AGTR1 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL12655019 0.81 LTB4R2 (0.53) LTB4R2AGTR1ABCB11GP6
SCHEMBL2032 0.81 AGTR1 (0.66) LTB4R2AGTR1ABCB11GP6
SCHEMBL2033 0.81 AGTR1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed