SCHEMBL462819

SCHEMBL462819

CCOC(=O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)ccc5F)C4)nc3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.34
RET P07949 7/20 0.33
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 3/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
OPRK1 P41145 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL461775 0.92 OPRK1 (0.31) RETNR1H2NR1H3OPRK1
SCHEMBL463066 0.90 NR1H2 (0.33) RETNR1H2NR1H3OPRK1
SCHEMBL470523 0.89 NTRK1 (0.35) NTRK1RETNR1H2GPR119
SCHEMBL470641 0.89 NTRK1 (0.34) NTRK1RETNR1H2NR1H3DPP4
SCHEMBL12064744 0.88 NTRK1 (0.34) NTRK1RETNR1H2GPR119
SCHEMBL470535 0.88 NR1H2 (0.33) RETNR1H2
SCHEMBL12064745 0.87 NTRK1 (0.34) NTRK1RETNR1H2GPR119
SCHEMBL470486 0.86 NTRK1 (0.36) NTRK1RETNR1H2GPR119
SCHEMBL12064985 0.86 DPP4 (0.33) RETNR1H2DPP4DPP8DPP9
SCHEMBL470580 0.86 NR1H2 (0.33) RETNR1H2OPRK1

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