SCHEMBL12064985

SCHEMBL12064985

CC(=O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)c(F)cc5F)C4)nc3)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.33
DPP7 Q9UHL4 6/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP9 Q86TI2 3/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
NR1H2 P55055 1/20 0.32
ACACB O00763 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
RET P07949 7/20 0.31
GRM4 Q14833 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
SCHEMBL470798 0.90 DPP4 (0.32) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL461775 0.89 OPRK1 (0.31) NR1H2RET
SCHEMBL12064592 0.88 NR1H2 (0.31) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470535 0.88 NR1H2 (0.33) NR1H2ACACBEIF2AK4CKS1BSKP1
SCHEMBL463066 0.87 NR1H2 (0.33) NR1H2EIF2AK4CKS1BSKP1SKP2
SCHEMBL462819 0.86 NTRK1 (0.34) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL470523 0.85 NTRK1 (0.35) KCNH2NR1H2EIF2AK4CKS1BSKP1
SCHEMBL12064814 0.84 NR1H2 (0.33) KCNH2NR1H2ACACBEIF2AK4CKS1B
SCHEMBL12064983 0.84 GPR119 (0.36) KCNH2NR1H2GRM4
SCHEMBL470580 0.84 NR1H2 (0.33) NR1H2ACACBEIF2AK4CKS1BSKP1

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