SCHEMBL28064061

SCHEMBL28064061

O=C(Cc1nccs1)ON1CCC(CCOc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 5/20 0.37
GRM5 P41594 1/20 0.35
CHRM5 P08912 1/20 0.34
CHEK2 O96017 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
KCNA5 P22460 1/20 0.33
CACNA1I Q9P0X4 2/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.32
ACKR3 P25106 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL28064161 0.87 HCRTR1 (0.42) PPARGPPARDPPARACHRM5CHEK2
SCHEMBL28064076 0.85 PPARG (0.47) PPARGPPARDPPARAGRM5CHRM5
SCHEMBL28064074 0.84 ALDH1A1 (0.42) TEAD1TEAD3KCNA5MAPTHRH2
SCHEMBL28064165 0.82 CHEK2 (0.42) CHEK2ACKR3HRH2HRH1
SCHEMBL28064064 0.82 TEAD1 (0.41) PPARGPPARDPPARATEAD1TEAD3
SCHEMBL28064059 0.82 HRH3 (0.39) TEAD1TEAD3ACKR3HRH2HRH1
SCHEMBL28088135 0.81 PPARG (0.40) PPARGPPARDPPARAGRM5CHRM5
SCHEMBL28064069 0.81 PPARG (0.37) PPARGPPARDPPARAGRM5CHEK2
SCHEMBL28064164 0.81 SIGMAR1 (0.38) PPARGPPARDPPARACHRM5KCNA5
SCHEMBL2225788 0.80 ENPP2 (0.44) GRM5KCNH2

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
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN claimed
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed