SCHEMBL2431860

SCHEMBL2431860

ClCOc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.60
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SOD1 P00441 1/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
GRM4 Q14833 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL320330 0.84 HIF1A (0.45) MAOBHTTALDH1A1LMNA
SCHEMBL30395305 0.83 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL1785290 0.83 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL30429412 0.83 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL307767 0.83 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL13883739 0.82 MAOB (0.64) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL3393523 0.81 MAOB (0.46) MAOBRAB9AALDH1A1MRGPRX4GRM4
SCHEMBL7162438 0.80 MAOB (0.62) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL1203917 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL14303721 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061116-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2018170165-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO disclosed
EP-3174880-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2017-06-07 EP disclosed
WO-2016016381-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
EP-2935240-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
EP-2760845-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2014-08-06 EP disclosed
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009011653-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES AND THEIR US IN THE SYNTHESIS OF SPIROPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP disclosed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed