SCHEMBL543663

SCHEMBL543663

O=C(OCc1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.55
ATXN2 Q99700 1/20 0.55
TACR1 P25103 5/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLC13A3 Q8WWT9 1/20 0.43

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
SCHEMBL543034 0.91 TACR1 (0.47) ENPP2ATXN2TACR1SLC6A4
SCHEMBL543130 0.88 ENPP2 (0.55) ENPP2ATXN2TACR1KCNH2SLC13A3
SCHEMBL171688 0.87 ENPP2 (0.53) ENPP2ATXN2KCNH2
Hydrochloric Acid SCHEMBL34463580 0.86 ENPP2 (0.52) ENPP2ATXN2KCNH2
SCHEMBL543279 0.84 ENPP2 (0.50) ENPP2ATXN2KCNH2
SCHEMBL16129902 0.82 ENPP2 (0.46) ENPP2ATXN2TACR1SLC6A4KCNH2
SCHEMBL543007 0.81 MEN1 (0.54) ENPP2ATXN2TACR1SLC6A4
SCHEMBL542988 0.81 ENPP2 (0.48) ENPP2ATXN2KCNH2
SCHEMBL542664 0.81 ENPP2 (0.52) ENPP2ATXN2TACR1KCNH2
SCHEMBL16129852 0.81 ENPP2 (0.45) ENPP2ATXN2TACR1SLC6A4KCNH2

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