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SCHEMBL20068519

SCHEMBL20068519

COc1cccc(C(CC(=O)N2CCC(CCCCOc3ccc(C(=O)N(C)C)c(Cl)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 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
SCHEMBL20060866 0.88 GPR119 (0.44) FFAR1GPR119HCRTR1HCRTR2HRH3
SCHEMBL20060927 0.82 GPR119 (0.47) GPR119HRH3NR1H2NR1H3
SCHEMBL20061055 0.82 GPR119 (0.47) GPR119HRH3NR1H2NR1H3
SCHEMBL30451702 0.81 NR1H2 (0.53) FFAR1GPR119HCRTR1HCRTR2HRH3
SCHEMBL20061107 0.81 NR1H2 (0.53) FFAR1GPR119HCRTR1HCRTR2HRH3
SCHEMBL22310606 0.81 NR1H2 (0.53) FFAR1GPR119HCRTR1HCRTR2HRH3
SCHEMBL22284457 0.81 NR1H2 (0.53) FFAR1GPR119HCRTR1HCRTR2HRH3
SCHEMBL22310513 0.79 GPR119 (0.52) GPR119HRH3NR1H2NR1H3
SCHEMBL20060931 0.79 HCRTR1 (0.39) FFAR1GPR119HCRTR1HCRTR2
SCHEMBL20060864 0.79 GPR119 (0.43) GPR119HRH3NR1H2NR1H3

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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