SCHEMBL14730294

SCHEMBL14730294

CC(C)(C)OC(=O)N[C@H]1CN(c2cnc(C(=O)O)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.42
RET P07949 4/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
SMO Q99835 1/20 0.37
MCHR1 Q99705 2/20 0.36
NPY5R Q15761 4/20 0.36
F2R P25116 1/20 0.36
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL14723500 1.00 NTRK1 (0.42) NTRK1RETCKS1BSKP1SKP2
SCHEMBL14722263 0.92 NTRK1 (0.43) NTRK1RETSMOMCHR1F2R
SCHEMBL14730278 0.92 NTRK1 (0.43) NTRK1RETSMOMCHR1F2R
SCHEMBL14723148 0.90 CKS1B (0.38) RETCKS1BSKP1SKP2DPP4
SCHEMBL10058396 0.90 NTRK1 (0.40) NTRK1RETMCHR1NPY5RF2R
SCHEMBL1720753 0.90 NTRK1 (0.40) NTRK1RETMCHR1NPY5RF2R
SCHEMBL609468 0.90 NTRK1 (0.40) NTRK1RETMCHR1NPY5RF2R
SCHEMBL14730297 0.88 NTRK1 (0.43) NTRK1RETMCHR1DPP4KCNH2
SCHEMBL14723371 0.88 NTRK1 (0.43) NTRK1RETMCHR1DPP4KCNH2
SCHEMBL609745 0.86 RET (0.44) NTRK1RETMCHR1DPP4

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