SCHEMBL4257512

SCHEMBL4257512

COc1ccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 2/20 0.42
CCR3 P51677 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.41
GHSR Q92847 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL4258569 0.90 MMP1 (0.43) LMNARAB9AKMT2AMEN1FAAH
SCHEMBL4257403 0.89 TSHR (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL4268039 0.83 TACR2 (0.47) ALDH1A1SMN1; SMN2MAPTKMT2AFAAH
SCHEMBL4272823 0.81 OPRK1 (0.50) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL4265584 0.81 GRM2 (0.43) KMT2AMEN1L3MBTL1FAAHNPC1
SCHEMBL4258709 0.80 LMNA (0.46) LMNAALDH1A1SMN1; SMN2FAAHCCR3
SCHEMBL4262418 0.80 MEN1 (0.41) LMNASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL4263224 0.79 CTSK (0.41) RAB9ANPC1SIGMAR1
SCHEMBL4265019 0.79 KMT2A (0.42) ALDH1A1MAPTKMT2AMEN1FAAH
SCHEMBL4265581 0.79 ALDH1A1 (0.42) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed