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Sugi Predict / Compounds / SCHEMBL14730203

SCHEMBL14730203

SCHEMBL14730203

C=C/C(F)=C\C=C(\F)CC1CN(c2ncc(C(=O)N(C)C3CCN(c4nc(C(C)(F)F)no4)CC3)cn2)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.32
▸ HDAC4 P56524 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL14730171 0.97 GPR119 (0.32) GPR119HDAC4HDAC6
SCHEMBL14730213 0.89 GPR119 (0.33) GPR119
SCHEMBL14730298 0.87 ALOX5AP (0.34) GPR119
SCHEMBL14730169 0.86 GPR119 (0.33) GPR119HDAC4HDAC6
SCHEMBL14730214 0.85 GPR119 (0.33) GPR119
SCHEMBL14730317 0.84 GPR119 (0.34) GPR119
SCHEMBL14730170 0.84 GPR119 (0.30) GPR119
SCHEMBL14730316 0.84 GPR119 (0.34) GPR119
SCHEMBL14730254 0.84 GPR119 (0.34) GPR119
SCHEMBL14730225 0.83 GPR119 (0.33) GPR119HDAC4HDAC6

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 — — WO disclosed