SCHEMBL543671

SCHEMBL543671

O=C(OCc1ccc(Cl)c(F)c1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.55
ATXN2 Q99700 4/20 0.55
GRIN2B Q13224 1/20 0.47
PARP1 P09874 5/20 0.45
DPP4 P27487 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4678059 0.88 DPP4 (0.55) ENPP2ATXN2GRIN2BPARP1DPP4
SCHEMBL543630 0.88 ENPP2 (0.53) ENPP2ATXN2MAPTMAPK1HTT
SCHEMBL16825237 0.87 ENPP2 (0.54) ENPP2ATXN2GRIN2BDPP4PTGDR2
Hydrochloric Acid SCHEMBL4680856 0.87 DPP4 (0.54) ENPP2ATXN2GRIN2BPARP1DPP4
SCHEMBL543314 0.85 ENPP2 (0.41) ENPP2ATXN2GRIN2BPARP1DPP4
SCHEMBL543241 0.83 MEN1 (0.42) ENPP2ATXN2PARP1PTGDR2MEN1
SCHEMBL542687 0.82 EPHX2 (0.45) ENPP2ATXN2PARP1DPP4PTGDR2
SCHEMBL543666 0.82 KDM4A (0.44) ENPP2ATXN2PARP1PTGDR2
SCHEMBL543599 0.81 MGLL (0.43) ENPP2ATXN2PARP1PTGDR2MEN1
SCHEMBL148277 0.81 SCN5A (0.50) ENPP2ATXN2MAPTMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO claimed