SCHEMBL14730281

SCHEMBL14730281

CCN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
RET P07949 6/20 0.31
F2R P25116 1/20 0.31
SYK P43405 1/20 0.30
NR1H2 P55055 1/20 0.30
NPY5R Q15761 3/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
NTRK1 P04629 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL6128140 0.92 GPR119 (0.36) DPP4DPP8DPP9DPP7F2R
SCHEMBL14730264 0.84 HPGDS (0.38) MAOBDPP4DPP8DPP9DPP7
SCHEMBL14722228 0.84 PDE4B (0.42)
SCHEMBL14730168 0.83 GPR119 (0.36) DPP4DPP8DPP7NR1H2KCNH2
SCHEMBL14730209 0.83 GPR119 (0.31) NR1H2
SCHEMBL14730269 0.83 NTRK1 (0.37) RETF2RNR1H2NPY5RNTRK1
SCHEMBL458011 0.82 ACACB (0.35) DPP4DPP8DPP9DPP7RET
SCHEMBL14730335 0.81 DPP4 (0.38) MAOBDPP4DPP8DPP9DPP7
SCHEMBL14730224 0.81 NTRK1 (0.35) MAOAMAOBRETNPY5RNTRK1
SCHEMBL14723139 0.81 USP30 (0.41) RETNPY5RNTRK1

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