SCHEMBL14730210

SCHEMBL14730210

COC(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.37
DPP4 P27487 9/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP7 Q9UHL4 4/20 0.35
DPP9 Q86TI2 2/20 0.35
SMO Q99835 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL14723078 1.00 RET (0.37) RETDPP4DPP8DPP7DPP9
SCHEMBL14723148 0.92 CKS1B (0.38) RETDPP4DPP8DPP7DPP9
SCHEMBL14722263 0.90 NTRK1 (0.43) RETDPP4SMO
SCHEMBL14730278 0.90 NTRK1 (0.43) RETDPP4SMO
SCHEMBL14730330 0.83 NR1H2 (0.40) RETDPP4DPP8DPP7DPP9
SCHEMBL14723221 0.83 NR1H2 (0.40) RETDPP4DPP8DPP7DPP9
SCHEMBL24033326 0.83 CKS1B (0.38) RETSMOCKS1BSKP1SKP2
SCHEMBL30181528 0.83 CKS1B (0.38) RETSMOCKS1BSKP1SKP2
SCHEMBL24817639 0.82 JAK3 (0.40) RETSMOCKS1BSKP1SKP2
SCHEMBL14730294 0.82 NTRK1 (0.42) RETDPP4DPP8DPP9SMO

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