SCHEMBL14730291

SCHEMBL14730291

CCn1nnc(N2CCC(N(C(=O)c3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)C3CC3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
DPP4 P27487 18/20 0.35
DPP8 Q6V1X1 9/20 0.35
DPP9 Q86TI2 8/20 0.35
KCNH2 Q12809 2/20 0.35
DPP7 Q9UHL4 9/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL14730243 0.85 GPR119 (0.36)
SCHEMBL14730362 0.81 DPP4 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730211 0.79 NTRK1 (0.36)
SCHEMBL14730244 0.77 MCHR1 (0.35) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730365 0.76 MCHR1 (0.34) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730360 0.76 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730284 0.75 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730359 0.75 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730188 0.74 DPP4 (0.50) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730234 0.74 DPP4 (0.45) DPP4DPP8DPP9KCNH2DPP7

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed