SCHEMBL14722263

SCHEMBL14722263

COC(=O)c1cnc(N2CC(NC(=O)OC(C)(C)C)C(c3cc(F)ccc3F)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.43
RET P07949 5/20 0.39
SMO Q99835 1/20 0.36
MCHR1 Q99705 1/20 0.36
DPP4 P27487 1/20 0.35
F2R P25116 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
SCHEMBL14730278 1.00 NTRK1 (0.43) NTRK1RETSMOMCHR1DPP4
SCHEMBL14730294 0.92 NTRK1 (0.42) NTRK1RETSMOMCHR1DPP4
SCHEMBL14723500 0.92 NTRK1 (0.42) NTRK1RETSMOMCHR1DPP4
SCHEMBL14723078 0.90 RET (0.37) RETSMODPP4
SCHEMBL14730210 0.90 RET (0.37) RETSMODPP4
SCHEMBL10058396 0.89 NTRK1 (0.40) NTRK1RETMCHR1DPP4F2R
SCHEMBL1720753 0.89 NTRK1 (0.40) NTRK1RETMCHR1F2R
SCHEMBL609468 0.89 NTRK1 (0.40) NTRK1RETMCHR1F2R
SCHEMBL14723597 0.88 NTRK1 (0.43) NTRK1RETMCHR1
SCHEMBL14730180 0.88 NTRK1 (0.43) NTRK1RETMCHR1

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