SCHEMBL457628

SCHEMBL457628

CC(C)(C)OC(=O)N[C@@]1(c2ncc(OCCC3CCN(C(=N)NO)CC3)cn2)CNC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.34
SCN9A Q15858 1/20 0.34
CHEK2 O96017 1/20 0.33

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
SCHEMBL458010 0.88 ITGB3 (0.34) SCN9ACHEK2
SCHEMBL460033 0.80 RET (0.33) GPR119SCN9A
SCHEMBL457491 0.80 ITGB3 (0.34) CHEK2
SCHEMBL14722673 0.77 GPR119 (0.39) GPR119
SCHEMBL457629 0.75 GPR119 (0.35) GPR119SCN9ACHEK2
SCHEMBL463438 0.74 HTR2A (0.35)
SCHEMBL458923 0.72
SCHEMBL459944 0.70 NTRK1 (0.34)
SCHEMBL457723 0.69 NTRK1 (0.34)
SCHEMBL458389 0.69

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