SCHEMBL10380728

SCHEMBL10380728

CCOC(=O)CC1CCN(c2ncc(-c3ccc(C=O)c(F)c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 15/20 0.43
GPR119 Q8TDV5 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRIN2B Q13224 1/20 0.39
AOC3 Q16853 1/20 0.39
DGAT1 O75907 1/20 0.38

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
SCHEMBL10380233 0.90 FFAR4 (0.41) FFAR4CYP11B1CYP11B2GRIN2BDGAT1
SCHEMBL14969247 0.80 CYP11B1 (0.38) FFAR4CYP11B1CYP11B2GRIN2BDGAT1
SCHEMBL14969248 0.80 CYP11B1 (0.38) FFAR4CYP11B1CYP11B2GRIN2BDGAT1
SCHEMBL10324875 0.80 MELK (0.40) FFAR4GPR119GRIN2BAOC3
SCHEMBL10379959 0.78 DGAT1 (0.47) DGAT1
SCHEMBL10379629 0.76 FFAR4 (0.37) FFAR4GPR119AOC3DGAT1
SCHEMBL10325156 0.76 DGAT1 (0.38) CYP11B1CYP11B2GRIN2BDGAT1
SCHEMBL10380087 0.76 DGAT1 (0.59) DGAT1
SCHEMBL4396258 0.76 GAA (0.42) FFAR4AOC3DGAT1
SCHEMBL10379966 0.76 USP14 (0.44) FFAR4DGAT1

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-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO disclosed