SCHEMBL14889446

SCHEMBL14889446

O=C(Nc1cc(Cl)cc(Cl)c1)ON1CCN(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.41
EPHX2 P34913 2/20 0.40
MGLL Q99685 1/20 0.40
CCR3 P51677 2/20 0.39
HRH1 P35367 1/20 0.39
LRRK2 Q5S007 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL3 Q96JM7 7/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53BP1 Q12888 2/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
CHRM1 P11229 2/20 0.36
ATXN2 Q99700 1/20 0.36

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
SCHEMBL118063 0.88 NAMPT (0.43) ENPP2EPHX2MGLLLRRK2LMNA
SCHEMBL15996442 0.88 NAMPT (0.43) ENPP2EPHX2MGLLLRRK2LMNA
SCHEMBL14889464 0.87 CCR3 (0.38) ENPP2EPHX2CCR3
SCHEMBL118734 0.80 ENPP2 (0.61) ENPP2ATXN2
SCHEMBL118415 0.80 ENPP2 (0.61) ENPP2ATXN2
SCHEMBL14889527 0.78 L3MBTL3 (0.49) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL14889467 0.78 ENPP2 (0.52) ENPP2LRRK2LMNAL3MBTL3L3MBTL1
SCHEMBL118338 0.78 ENPP2 (0.52) ENPP2CCR3LRRK2L3MBTL3L3MBTL1
SCHEMBL118378 0.78 ENPP2 (0.52) ENPP2LRRK2LMNAL3MBTL3L3MBTL1
SCHEMBL14889466 0.78 L3MBTL1 (0.41) ENPP2CCR3HRH1LRRK2LMNA

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
EP-2414330-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-05-01 EP claimed