SCHEMBL20060931

SCHEMBL20060931

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.38
▸ FFAR1 O14842 10/20 0.38
▸ HTR1A P08908 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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 0.91 GPR119 (0.44) HCRTR1HCRTR2GPR119FFAR1
SCHEMBL20060927 0.82 GPR119 (0.47) GPR119
SCHEMBL20061055 0.82 GPR119 (0.47) GPR119
SCHEMBL20060864 0.81 GPR119 (0.43) GPR119
SCHEMBL22310514 0.81 GPR119 (0.41) GPR119KMT2A
SCHEMBL20077051 0.81 GPR119 (0.38) GPR119KMT2A
SCHEMBL20077739 0.80 NR1H2 (0.38) GPR119FFAR1
SCHEMBL20060844 0.79 GPR119 (0.46) GPR119KMT2A
SCHEMBL20068519 0.79 FFAR1 (0.43) HCRTR1HCRTR2GPR119FFAR1
SCHEMBL20060883 0.79 GPR119 (0.38) GPR119

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-2018068295-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
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