SCHEMBL64472

SCHEMBL64472

Clc1cccc(Cl)c1OCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.44
HTR1A P08908 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL6654038 0.89 KMT2A (0.47) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL11447657 0.88 KDM4E (0.42) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL11450595 0.85 KMT2A (0.44) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL4055640 0.85 KMT2A (0.44) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL10461262 0.79 KMT2A (0.50) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL1057982 0.79 SMN1; SMN2 (0.35) L3MBTL1KDM4EHPGDMAPTGAA
SCHEMBL21899044 0.79 KMT2A (0.50) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL11021157 0.77 KMT2A (0.48) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL10358952 0.77 KMT2A (0.53) KMT2AL3MBTL1KDM4EHPGDHTR1A
SCHEMBL9324460 0.77 MAPT (0.45) L3MBTL1KDM4EHPGDMAPTMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
EP-0445026-B1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR (FR) 1994-01-26 EP disclosed
US-5229398-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5229399-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 US disclosed
US-5192775-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-09 US disclosed
EP-0445026-A1 Aminomethylpiperidine derivatives, their process for preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-04 EP disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
EP-0209763-A1 Salts of morpholiniocarboxylic esters and morpholinioalkyl-phenylethers, processes for their preparation, and their use as fungicides Institut für Pflanzenschutzforschung Kleinmachnow der A.d.L. der DDR (DD) 1987-01-28 EP disclosed
US-4027028-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1977-05-31 US disclosed