SCHEMBL4269518

SCHEMBL4269518

Cc1ccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 3/20 0.39
SIGMAR1 Q99720 3/20 0.38
DRD3 P35462 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.36
PPIA P62937 1/20 0.36
ALOX12 P18054 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4262167 0.91 MAPT (0.43) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL4258712 0.87 PPARG (0.38) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL4262418 0.81 MEN1 (0.41) GAAKMT2AMEN1LMNARECQL
SCHEMBL4259608 0.76 TP53 (0.39) ALDH1A1LMNA
SCHEMBL4268039 0.73 TACR2 (0.47) ALDH1A1MAPTPOLBKMT2ASMN1; SMN2
SCHEMBL4258569 0.72 MMP1 (0.43) POLBKMT2AMEN1LMNARAB9A
SCHEMBL1086478 0.71 ALDH1A1 (0.45) ALDH1A1MAPTLMNASIGMAR1SMN1; SMN2
SCHEMBL4257406 0.71 HDAC6 (0.43) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1086422 0.71 CRBN (0.45) ALDH1A1MAPTLMNASIGMAR1DRD3
SCHEMBL1086172 0.70 TACR2 (0.42) ALDH1A1SIGMAR1

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