SCHEMBL5530113

SCHEMBL5530113

O=C(NC1CCCC1)Oc1noc2c1CN(C(=O)C=Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
C3AR1 Q16581 2/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
FAAH O00519 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL5532889 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2590810 0.84 HSP90AA1 (0.53) RAB9ANPC1SMN1; SMN2C3AR1MAPT
SCHEMBL4264844 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL4264840 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL5533937 0.74 ATF4 (0.49) RAB9ASMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL5528774 0.72 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2585600 0.68 HSP90AA1 (0.45) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2585492 0.67 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL10089405 0.65 ALDH1A1 (0.76) RAB9AALDH1A1FAAHEPHX1LHCGR
SCHEMBL10089396 0.65 ALDH1A1 (0.76) RAB9AALDH1A1FAAHEPHX1LHCGR

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