SCHEMBL4263517

SCHEMBL4263517

N#Cc1cccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccc(SC(F)(F)F)cc2)C(=O)O3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
CYP2C19 P33261 5/20 0.37
CYP1A2 P05177 5/20 0.37
USP2 O75604 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 4/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GRM2 Q14416 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CCR3 P51677 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL4258709 0.89 LMNA (0.46) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL4271922 0.83 GRM2 (0.38) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL4258712 0.81 PPARG (0.38) MAPK1ALDH1A1UBE2MDCUN1D1PPARG
SCHEMBL5012911 0.79 PPARG (0.36) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL4268039 0.78 TACR2 (0.47) CYP2C19CYP1A2USP2CYP3A4CYP2D6
SCHEMBL4257403 0.77 TSHR (0.45) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL1086958 0.77 USP2 (0.47) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL1086102 0.76 FAAH (0.56) MAPK1CYP2C19CYP1A2USP2CYP3A4
SCHEMBL4264870 0.75 MAPK1 (0.38) MAPK1CYP2C19USP2CYP3A4CYP2D6
SCHEMBL4272823 0.75 OPRK1 (0.50) MAPK1CYP2C19CYP1A2USP2CYP3A4

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