SCHEMBL5533937

SCHEMBL5533937

O=C(NC1CCCC1)Oc1noc2c1CN(C(=O)COc1ccc(Cl)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.49
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRLHR P49683 4/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CPT1A P50416 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2580830 0.86 ATF4 (0.51) ATF4POLBRAB9AHPGDMAPT
SCHEMBL4263233 0.77 POLB (0.50) ATF4POLBRAB9AHPGDMAPT
SCHEMBL5528774 0.76 MAPT (0.47) POLBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5529317 0.76 MEN1 (0.50) POLBRAB9AHPGDMAPTSMN1; SMN2
SCHEMBL5531763 0.74 FKBP1A (0.53) POLBMAPTLMNAKDM4ECPT1A
SCHEMBL5530113 0.74 RAB9A (0.41) POLBRAB9AHPGDMAPTSMN1; SMN2
SCHEMBL5536542 0.72 L3MBTL1 (0.47) POLBRAB9AHPGDMAPTSMN1; SMN2
SCHEMBL5533616 0.69 GAA (0.43) POLBMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL5531524 0.67 ADORA2A (0.41) POLBMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL4267581 0.67 KMT2A (0.52) POLBRAB9AHPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO disclosed