SCHEMBL14730211

SCHEMBL14730211

CCN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nnn(CC)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.36
RET P07949 5/20 0.33
NPY5R Q15761 4/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
F2R P25116 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NR1H2 P55055 1/20 0.32
SYK P43405 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
SCHEMBL14730243 0.94 GPR119 (0.36) NTRK1
SCHEMBL14730224 0.89 NTRK1 (0.35) NTRK1RETNPY5REIF2AK4KDM1A
SCHEMBL14730269 0.88 NTRK1 (0.37) NTRK1RETNPY5REIF2AK4F2R
SCHEMBL14723139 0.86 USP30 (0.41) NTRK1RETNPY5R
SCHEMBL14723138 0.86 USP30 (0.41) NTRK1RETNPY5R
SCHEMBL470608 0.85 NTRK1 (0.37) NTRK1RETNPY5RCKS1BSKP1
SCHEMBL14730318 0.84 NTRK1 (0.34) NTRK1NPY5REIF2AK4HDAC6NR1H2
SCHEMBL14730266 0.84 GPR119 (0.36) NTRK1
SCHEMBL14722527 0.82 PDE4B (0.41) NTRK1NPY5R
SCHEMBL14730325 0.82 NTRK1 (0.33) NTRK1RETNPY5REIF2AK4NR1H2

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