SCHEMBL14730347

SCHEMBL14730347

CN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)c(N)c1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.36
VNN1 O95497 1/20 0.35
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
DPP4 P27487 2/20 0.32
F2R P25116 1/20 0.32
NPY5R Q15761 4/20 0.32
MCHR1 Q99705 1/20 0.31
HDAC1 Q13547 1/20 0.31
GPR6 P46095 2/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
RORC P51449 1/20 0.31
KIF11 P52732 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14730345 0.88 NTRK1 (0.40) NTRK1VNN1MCHR1HDAC1
SCHEMBL14730301 0.84 MCHR1 (0.40) VNN1HDAC3HDAC2DPP4MCHR1
SCHEMBL14730296 0.83 NTRK1 (0.38) NTRK1HDAC3HDAC2F2RNPY5R
SCHEMBL470478 0.77 USP30 (0.39) NTRK1DPP4F2RNPY5R
SCHEMBL457724 0.76 NTRK1 (0.41) NTRK1DPP4F2RNPY5R
SCHEMBL457722 0.76 NTRK1 (0.41) NTRK1DPP4F2RNPY5R
SCHEMBL6128115 0.75 NTRK1 (0.41) NTRK1HDAC3HDAC2DPP4F2R
SCHEMBL14722979 0.75 NTRK1 (0.41) NTRK1HDAC3HDAC2DPP4F2R
SCHEMBL14723036 0.75 RET (0.41) NTRK1
SCHEMBL14730344 0.75 RET (0.41) NTRK1

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