SCHEMBL542707

SCHEMBL542707

O=C(OCc1cc(Cl)cc(Cl)c1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 19/20 0.56
ATXN2 Q99700 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNH2 Q12809 1/20 0.48

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
SCHEMBL149388 0.98 ENPP2 (0.55) ENPP2ATXN2POLBMAPTNPSR1
Hydrochloric Acid SCHEMBL28168579 0.97 ENPP2 (0.54) ENPP2ATXN2POLBMAPTNPSR1
SCHEMBL25208544 0.86 ENPP2 (0.53) ENPP2ATXN2
SCHEMBL6236015 0.86 MEN1 (0.62) ENPP2ATXN2NPSR1
SCHEMBL171688 0.86 ENPP2 (0.53) ENPP2ATXN2KCNH2
SCHEMBL28032076 0.85 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL543130 0.85 ENPP2 (0.55) ENPP2ATXN2POLBKCNH2
Hydrochloric Acid SCHEMBL34463580 0.84 ENPP2 (0.52) ENPP2ATXN2KCNH2
SCHEMBL25244326 0.84 ENPP2 (0.61) ENPP2KCNH2
SCHEMBL10102919 0.83 ENPP2 (0.60) ENPP2KCNH2

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 3 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
WO-2022003557-A1 NOVEL INHIBITORS OF AUTOTAXIN CADILA HEALTHCARE LIMITED (IN) 2022-01-06 WO disclosed