SCHEMBL4258527

SCHEMBL4258527

COc1cccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 2/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR3 P51677 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4271025 0.87 TRPV1 (0.46) LMNAALDH1A1KDM4EKCNH2SMN1; SMN2
SCHEMBL4262418 0.83 MEN1 (0.41) MEN1KMT2ALMNASMN1; SMN2THRB
SCHEMBL4272821 0.78 TACR2 (0.40) LMNAALDH1A1KDM4ETDP1HDAC11
SCHEMBL5015097 0.78 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4272823 0.78 OPRK1 (0.50) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL4263514 0.77 HSD11B1 (0.40) LMNAALDH1A1KDM4EGAAHDAC11
SCHEMBL4257512 0.77 LMNA (0.48) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4268039 0.76 TACR2 (0.47) KMT2AALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL1086484 0.75 MAPT (0.45) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4258569 0.75 MMP1 (0.43) MEN1KMT2ALMNARAB9A

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 2 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-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