SCHEMBL14730284

SCHEMBL14730284

CCN(C(=O)c1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(C(C)(C)C)no2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
ALOX5AP P20292 4/20 0.34
DPP4 P27487 7/20 0.34
DPP8 Q6V1X1 6/20 0.34
DPP7 Q9UHL4 6/20 0.34
DPP9 Q86TI2 4/20 0.34
GPR119 Q8TDV5 4/20 0.33
KCNH2 Q12809 3/20 0.33
CYP2D6 P10635 1/20 0.33
TACR3 P29371 2/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL14730359 0.95 MCHR1 (0.36) MCHR1ALOX5APDPP4DPP8DPP7
SCHEMBL14730287 0.92 ALOX5AP (0.37) MCHR1ALOX5APDPP4DPP8DPP7
SCHEMBL14730371 0.90 MCHR1 (0.35) MCHR1ALOX5APDPP4DPP8DPP7
SCHEMBL14730360 0.90 MCHR1 (0.36) MCHR1DPP4DPP8DPP7DPP9
SCHEMBL14730299 0.87 DPP4 (0.37) MCHR1ALOX5APDPP4DPP8DPP7
SCHEMBL14730285 0.84 DPP4 (0.43) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730250 0.84 DPP4 (0.36) MCHR1ALOX5APDPP4DPP8DPP7
SCHEMBL14730248 0.84 PDK2 (0.35) MCHR1DPP4DPP8DPP7DPP9
SCHEMBL14730361 0.83 GPR119 (0.35) DPP4DPP8DPP7GPR119KCNH2
SCHEMBL14730318 0.83 NTRK1 (0.34) GPR119KCNH2TACR3

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