SCHEMBL542687

SCHEMBL542687

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
PARP1 P09874 5/20 0.43
DPP4 P27487 1/20 0.42
ENPP2 Q13822 4/20 0.40
ATXN2 Q99700 4/20 0.40
FFAR1 O14842 1/20 0.39
GPR183 P32249 2/20 0.38
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAO P14920 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38

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
SCHEMBL543599 0.87 MGLL (0.43) PTGDR2PARP1ENPP2ATXN2MEN1
SCHEMBL543356 0.86 EPHX2 (0.39) EPHX2PTGDR2PARP1DPP4ENPP2
SCHEMBL4678059 0.86 DPP4 (0.55) PTGDR2PARP1DPP4ENPP2ATXN2
Hydrochloric Acid SCHEMBL4680856 0.85 DPP4 (0.54) PTGDR2PARP1DPP4ENPP2ATXN2
SCHEMBL542993 0.84 MGLL (0.43) EPHX2PTGDR2PARP1ENPP2ATXN2
SCHEMBL543046 0.83 ENPP2 (0.51) EPHX2PTGDR2PARP1DPP4ENPP2
SCHEMBL543671 0.82 ENPP2 (0.55) PTGDR2PARP1DPP4ENPP2ATXN2
SCHEMBL542664 0.81 ENPP2 (0.52) ENPP2ATXN2MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL4681490 0.80 ENPP2 (0.51) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL543007 0.79 MEN1 (0.54) ENPP2ATXN2MEN1KMT2A

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