SCHEMBL5221517

SCHEMBL5221517

N#Cc1ccc2oc(CCC(=O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
KMO O15229 1/20 0.49
FFAR4 Q5NUL3 7/20 0.48
FFAR1 O14842 7/20 0.48
CYP2C9 P11712 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL5032985 0.85 HRH3 (0.58) HRH3
SCHEMBL5672639 0.84 HRH3 (0.48) HRH3
SCHEMBL5032790 0.82 HRH3 (0.55) HRH3
SCHEMBL5034855 0.82 HRH3 (0.55) HRH3
SCHEMBL5030411 0.80 HRH3 (0.54) HRH3
SCHEMBL7393118 0.80 HRH3 (0.45) HRH3FFAR1
SCHEMBL16808245 0.79 HRH3 (0.51) HRH3
SCHEMBL7799417 0.79 FFAR4 (0.52) FFAR4FFAR1CYP2C9CACNA1C
SCHEMBL176970 0.79 HRH3 (0.49) HRH3
SCHEMBL2093469 0.79 HRH3 (0.49) HRH3

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
EP-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed