SCHEMBL2554911

SCHEMBL2554911

CC(Oc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.52
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL14151568 0.84 MCHR1 (0.53) MCHR1KCNH2HRH3PPARD
SCHEMBL12289356 0.81 MCHR1 (0.53) MCHR1KCNH2HRH3
SCHEMBL2565391 0.81 MCHR1 (0.55) MCHR1KCNH2HRH3
SCHEMBL14150356 0.78 MCHR1 (0.56) MCHR1KCNH2HRH3PPARGPPARD
SCHEMBL14151155 0.77 MCHR1 (0.53) MCHR1KCNH2HRH3
SCHEMBL2567537 0.77 MCHR1 (0.52) MCHR1KCNH2HRH3
SCHEMBL14151083 0.77 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL14150435 0.76 MCHR1 (0.52) MCHR1KCNH2HRH3
SCHEMBL2571449 0.76 MCHR1 (0.66) MCHR1KCNH2HRH3
SCHEMBL1005304 0.76 MCHR1 (0.60) MCHR1KCNH2HRH3

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
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed