SCHEMBL28064070

SCHEMBL28064070

O=C(Cc1cncs1)ON1CCC(CCOc2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 6/20 0.38
KCNH2 Q12809 3/20 0.38
CTSS P25774 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
ACACB O00763 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MCHR1 Q99705 1/20 0.33

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 0.88 LTA4H (0.39) LTA4HHRH3PARP15PARP10TEAD1
SCHEMBL28064086 0.88 LTA4H (0.39) LTA4HPARP15PARP10TEAD1TEAD3
SCHEMBL28064084 0.88 TEAD1 (0.47) LTA4HPARP15PARP10TEAD1TEAD3
SCHEMBL28064087 0.86 TEAD1 (0.44) LTA4HHRH3PARP15PARP10TEAD1
SCHEMBL28064068 0.86 PARP10 (0.53) LTA4HHRH3CTSSPARP15PARP10
SCHEMBL28064081 0.84 PTGDR2 (0.40) KCNH2CYP2C9
SCHEMBL28064059 0.82 HRH3 (0.39) LTA4HHRH3KCNH2TEAD1TEAD3
SCHEMBL28064080 0.82 HRH3 (0.39) LTA4HHRH3KCNH2CTSSTEAD1
SCHEMBL28064069 0.82 PPARG (0.37) LTA4HHRH3KCNH2TEAD1TEAD3
SCHEMBL2227965 0.81 CHRM4 (0.42) LTA4HHRH3KCNH2CTSSPARP15

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