SCHEMBL5531763

SCHEMBL5531763

O=C(O)Oc1noc2c1CN(C(=O)COc1cccc(Cl)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.53
ENPP2 Q13822 5/20 0.47
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37

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
SCHEMBL5529317 0.89 MEN1 (0.50) MAPTLMNAMEN1KMT2APOLB
SCHEMBL4267230 0.87 FKBP1A (0.54) FKBP1AENPP2MAPTLMNAMEN1
SCHEMBL5529307 0.79 SMN1; SMN2 (0.57) MAPTKMT2APOLBKDM4ETSHR
SCHEMBL2587431 0.77 HSP90AA1 (0.46) FKBP1AENPP2LMNAKMT2AKDM4E
SCHEMBL5539142 0.75 AKR1C3 (0.46) MEN1KMT2A
SCHEMBL4267581 0.74 KMT2A (0.52) MAPTLMNAMEN1KMT2APOLB
SCHEMBL4263233 0.74 POLB (0.50) ENPP2MAPTLMNAMEN1KMT2A
SCHEMBL5533937 0.74 ATF4 (0.49) MAPTLMNAPOLBKDM4ECPT1A
SCHEMBL5536542 0.73 L3MBTL1 (0.47) FKBP1AMAPTLMNAMEN1KMT2A
SCHEMBL15062704 0.73 LMNA (0.50) LMNA

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