SCHEMBL20068692

SCHEMBL20068692

CN(C)C(=O)c1ccc(OCCCC2CC3(CCN(C(=O)C(c4ccccc4)C(F)(F)F)CC3)C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 18/20 0.49
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL20061078 0.92 GPR119 (0.39) GPR119NR1H2NR1H3
SCHEMBL20061055 0.88 GPR119 (0.47) GPR119NR1H2NR1H3HRH3
SCHEMBL20060927 0.88 GPR119 (0.47) GPR119NR1H2NR1H3HRH3
SCHEMBL20061043 0.85 NR1H2 (0.55) GPR119NR1H2NR1H3
SCHEMBL30451102 0.85 NR1H2 (0.55) GPR119NR1H2NR1H3
SCHEMBL22311075 0.85 NR1H2 (0.55) GPR119NR1H2NR1H3
SCHEMBL22311400 0.81 NR1H2 (0.56) GPR119NR1H2NR1H3HRH3
SCHEMBL30452109 0.81 NR1H2 (0.56) GPR119NR1H2NR1H3HRH3
SCHEMBL20061074 0.81 NR1H2 (0.56) GPR119NR1H2NR1H3HRH3
SCHEMBL20068490 0.81 NR1H2 (0.43) GPR119NR1H2NR1H3HRH3

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-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
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