SCHEMBL462592

SCHEMBL462592

Cc1ccc(=O)n([C@H]2CN(c3ncc(O[C@@H](C)C4CCN(c5nc(C(C)(F)F)no5)CC4)cn3)C[C@@H]2N)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
GPR119 Q8TDV5 8/20 0.32
KCNH2 Q12809 4/20 0.32
EGFR P00533 1/20 0.32
KCNE1 P15382 1/20 0.32

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
SCHEMBL462593 1.00 ALOX5AP (0.33) ALOX5APGPR119KCNH2EGFRKCNE1
SCHEMBL463068 0.88 GPR119 (0.32) GPR119
SCHEMBL463070 0.88 GPR119 (0.32) GPR119
SCHEMBL463069 0.88 GPR119 (0.32) GPR119
SCHEMBL463156 0.81 GPR119 (0.31) GPR119KCNH2
SCHEMBL463157 0.81 GPR119 (0.31) GPR119KCNH2
SCHEMBL463158 0.81 GPR119 (0.31) GPR119KCNH2
SCHEMBL462545 0.77 GPR119 (0.32) ALOX5APGPR119
SCHEMBL462547 0.77 GPR119 (0.32) ALOX5APGPR119
SCHEMBL462546 0.77 GPR119 (0.32) ALOX5APGPR119

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed