SCHEMBL457627

SCHEMBL457627

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(C(=N)NO)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP7 Q9UHL4 4/20 0.34
DPP9 Q86TI2 3/20 0.34
NR1H2 P55055 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
RET P07949 9/20 0.32
GRM4 Q14833 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
F2R P25116 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 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
SCHEMBL470550 0.88 DPP4 (0.35) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL457629 0.87 GPR119 (0.35) DPP4DPP8DPP7DPP9GPR119
SCHEMBL458009 0.86 DPP4 (0.35) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL12064985 0.83 DPP4 (0.33) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL470798 0.80 DPP4 (0.32) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL152374 0.80 GPR119 (0.39) DPP4GPR119
SCHEMBL459423 0.80 GPR119 (0.41) GPR119RETF2R
SCHEMBL470805 0.80 DPP4 (0.32) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL12064592 0.79 NR1H2 (0.31) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL460032 0.79 NTRK1 (0.38) RET

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