SCHEMBL470603

SCHEMBL470603

C[C@H](Oc1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(C(C)(C)O)co2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
DPP4 P27487 17/20 0.35
DPP8 Q6V1X1 12/20 0.35
DPP9 Q86TI2 11/20 0.35
KCNH2 Q12809 2/20 0.35
DPP7 Q9UHL4 13/20 0.34
CYP2D6 P10635 1/20 0.33
FFAR1 O14842 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
SCHEMBL12064750 0.84 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470692 0.84 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL461833 0.83 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470695 0.82 DPP4 (0.39) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462518 0.81 DPP4 (0.43) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470671 0.81 MCHR1 (0.37) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462389 0.81 MCHR1 (0.41) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470656 0.80 ALOX5AP (0.34) DPP4DPP8DPP9KCNH2DPP7
Hydrochloric Acid SCHEMBL462388 0.80 MCHR1 (0.40) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470520 0.79 DPP4 (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