SCHEMBL542956

SCHEMBL542956

O=C(OCc1cccc(Cl)c1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.53
ATXN2 Q99700 1/20 0.53
HTR6 P50406 2/20 0.49
TACR1 P25103 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRB1 P08588 2/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HTR3A P46098 2/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL4677057 0.88 KDM4E (0.52) ENPP2ATXN2HTR6TACR1HTR2C
SCHEMBL16825208 0.86 ENPP2 (0.53) ENPP2ATXN2MMP1MMP2MMP9
SCHEMBL171688 0.86 ENPP2 (0.53) ENPP2ATXN2
Hydrochloric Acid SCHEMBL34463580 0.85 ENPP2 (0.52) ENPP2ATXN2
SCHEMBL4682528 0.84 HTR2C (0.47) ENPP2ATXN2HTR6HTR2CHTR2A
SCHEMBL148277 0.83 SCN5A (0.50) ENPP2ATXN2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL16616349 0.83 ENPP2 (0.61) ENPP2ATXN2MMP1MMP2MMP9
SCHEMBL3778880 0.83 MEN1 (0.66) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17272 0.83 MEN1 (0.66) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL3889285 0.83 MEN1 (0.66) HTR2CHTR2AHTR2BMEN1KMT2A

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