SCHEMBL14730359

SCHEMBL14730359

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
DPP4 P27487 10/20 0.35
DPP7 Q9UHL4 9/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP9 Q86TI2 4/20 0.35
KCNH2 Q12809 3/20 0.34
ALOX5AP P20292 2/20 0.34
CYP2D6 P10635 2/20 0.34
GPR119 Q8TDV5 3/20 0.33
TACR3 P29371 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
TACR1 P25103 2/20 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
SCHEMBL14730284 0.95 MCHR1 (0.36) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730371 0.95 MCHR1 (0.35) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730250 0.89 DPP4 (0.36) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730360 0.89 MCHR1 (0.36) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730299 0.87 DPP4 (0.37) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730318 0.87 NTRK1 (0.34) KCNH2GPR119TACR3
SCHEMBL14730287 0.87 ALOX5AP (0.37) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730242 0.86 ALOX5AP (0.36) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL14730248 0.83 PDK2 (0.35) MCHR1DPP4DPP7DPP8DPP9
SCHEMBL14730212 0.82 NTRK1 (0.33) KCNH2GPR119

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