SCHEMBL28064080

SCHEMBL28064080

O=C(Cc1cscn1)ON1CCC(CCOc2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
KCNH2 Q12809 2/20 0.39
LTA4H P09960 1/20 0.38
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HPGD P15428 4/20 0.33
CTSS P25774 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 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
SCHEMBL28827928 0.88 MEN1 (0.39) LTA4HTEAD1TEAD3SMN1; SMN2
SCHEMBL28064062 0.87 RAB9A (0.39) HRH3LTA4HTEAD1TEAD3HPGD
SCHEMBL28064078 0.86 TEAD1 (0.45) LTA4HTEAD1TEAD3LMNA
SCHEMBL28064089 0.83 PTGDR2 (0.40) KCNH2CYP2C9
SCHEMBL28064070 0.82 LTA4H (0.39) HRH3KCNH2LTA4HTEAD1TEAD3
SCHEMBL2230451 0.81 CHRM4 (0.43) HRH3KCNH2LTA4HTEAD1TEAD3
SCHEMBL28064059 0.81 HRH3 (0.39) HRH3KCNH2LTA4HTEAD1TEAD3
SCHEMBL28064082 0.80 KDM4E (0.41) TEAD1TEAD3CYP3A4GAALMNA
SCHEMBL28064077 0.78 KDM4E (0.44) TEAD1TEAD3GAA
SCHEMBL28064071 0.77 ALDH1A1 (0.38) GAAHPGDLMNASMN1; SMN2

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