SCHEMBL14723274

SCHEMBL14723274

COC1(c2noc(N3CCC(N(C(=O)c4cnc([C@]5(NC(=O)OC(C)(C)C)CNC[C@@H]5c5cc(F)ccc5F)nc4)C4CC4)CC3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.33
MAPT P10636 1/20 0.31
NTRK1 P04629 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
SCHEMBL14722777 0.85 GPR119 (0.34) GPR119
SCHEMBL14722673 0.82 GPR119 (0.39) GPR119
SCHEMBL14723276 0.80 GPR119 (0.33) GPR119MAPT
SCHEMBL457723 0.73 NTRK1 (0.34) NTRK1
SCHEMBL459944 0.72 NTRK1 (0.34) NTRK1
SCHEMBL459071 0.71 NTRK1 (0.33) MAPTNTRK1
SCHEMBL457491 0.69 ITGB3 (0.34) NTRK1
SCHEMBL460033 0.68 RET (0.33) GPR119NTRK1
SCHEMBL14730179 0.68 GPR119 (0.34) GPR119NTRK1
SCHEMBL14730227 0.67 NTRK1 (0.34) GPR119NTRK1

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