SCHEMBL462389

SCHEMBL462389

CC(C)OC(=O)N1CCC(C(C)Oc2cnc(N3CC(N)C(c4cc(F)ccc4F)C3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 15/20 0.40
DPP7 Q9UHL4 1/20 0.37

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
Hydrochloric Acid SCHEMBL462388 0.99 MCHR1 (0.40) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL12064760 0.91 MCHR1 (0.39) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL612521 0.90 DPP4 (0.41) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL609363 0.90 DPP4 (0.41) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL120100 0.90 GPR119 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL1724437 0.90 GPR119 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL121217 0.90 GPR119 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL121276 0.89 MCHR1 (0.43) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL170490 0.84 GPR119 (0.42) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL122254 0.84 GPR119 (0.42) MCHR1DPP4DPP8DPP9KCNH2

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