SCHEMBL4272823

SCHEMBL4272823

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)ON1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.50
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
GRIN2B Q13224 1/20 0.44
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
FAAH O00519 1/20 0.41
RAF1 P04049 1/20 0.41
CDK1 P06493 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 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
SCHEMBL4257406 0.93 HDAC6 (0.43) OPRK1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL4268039 0.84 TACR2 (0.47) MAPTKMT2ASMN1; SMN2ALDH1A1FAAH
SCHEMBL4257512 0.81 LMNA (0.48) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL4258709 0.80 LMNA (0.46) MAPK1SMN1; SMN2ALDH1A1LMNAFAAH
SCHEMBL4258527 0.78 MEN1 (0.42) MAPTKMT2AMAPK1SMN1; SMN2GAA
SCHEMBL5011187 0.76 OTUD7B (0.42) OPRK1MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL5011711 0.76 MAPT (0.46) OPRK1MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL4272821 0.76 TACR2 (0.40) ALDH1A1LMNASSTR5EPHX2
SCHEMBL4263517 0.75 MAPK1 (0.37) MAPK1SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL4258569 0.74 MMP1 (0.43) KMT2AMEN1LMNAFAAHCYP3A4

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