SCHEMBL543046

SCHEMBL543046

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.51
ATXN2 Q99700 3/20 0.51
PARP1 P09874 5/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
DPP4 P27487 1/20 0.41
EPHX2 P34913 4/20 0.40
DGAT2 Q96PD7 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CACNA1H O95180 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
SCHEMBL543392 0.87 PTGDR2 (0.41) ENPP2ATXN2PARP1PTGDR2EPHX2
SCHEMBL542701 0.87 S1PR1 (0.41) ENPP2ATXN2PARP1PTGDR2DGAT2
SCHEMBL543666 0.85 KDM4A (0.44) ENPP2ATXN2PARP1PTGDR2DGAT2
SCHEMBL4678059 0.84 DPP4 (0.55) ENPP2ATXN2PARP1PTGDR2DPP4
SCHEMBL542687 0.83 EPHX2 (0.45) ENPP2ATXN2PARP1PTGDR2DPP4
Hydrochloric Acid SCHEMBL4680856 0.83 DPP4 (0.54) ENPP2ATXN2PARP1PTGDR2DPP4
SCHEMBL543243 0.82 ENPP2 (0.53) ENPP2ATXN2DGAT2
SCHEMBL543671 0.81 ENPP2 (0.55) ENPP2ATXN2PARP1PTGDR2DPP4
Hydrochloric Acid SCHEMBL4681689 0.81 ENPP2 (0.53) ENPP2ATXN2DGAT2
SCHEMBL543253 0.80 FNTA (0.54) ENPP2PARP1DGAT2FNTAFNTB

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 4 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
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed