SCHEMBL28064069

SCHEMBL28064069

O=C(Cc1cncs1)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 0.34
CHEK2 O96017 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CACNA1I Q9P0X4 2/20 0.32
LTA4H P09960 1/20 0.32
ENPP2 Q13822 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL28064060 0.90 LTA4H (0.39) PPARGPPARDPPARAGRM5CHEK2
SCHEMBL28064084 0.86 TEAD1 (0.47) PPARGPPARDPPARATEAD1TEAD3
SCHEMBL28064203 0.85 PPARG (0.46) PPARGPPARDPPARAGRM5
SCHEMBL28064086 0.84 LTA4H (0.39) TEAD1TEAD3LTA4H
SCHEMBL28064087 0.83 TEAD1 (0.44) TEAD1TEAD3HRH3LTA4H
SCHEMBL28064068 0.83 PARP10 (0.53) CHEK2TEAD1TEAD3HRH3LTA4H
SCHEMBL28064128 0.82 TEAD1 (0.40) PPARGPPARDPPARATEAD1TEAD3
SCHEMBL28088222 0.82 PPARG (0.37) PPARGPPARDPPARAGRM5CHEK2
SCHEMBL28064070 0.82 LTA4H (0.39) TEAD1TEAD3HRH3LTA4HKCNH2
SCHEMBL28064061 0.81 PPARG (0.37) PPARGPPARDPPARAGRM5CHEK2

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 3 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
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN disclosed