SCHEMBL28064089

SCHEMBL28064089

O=C(Cc1cscn1)ON1CCC(CCOc2ccccc2C2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
RBP4 P02753 2/20 0.38
HTR1A P08908 4/20 0.36
HTR7 P34969 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 1/20 0.35
ADRA1A P35348 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR6 P50406 1/20 0.35
IDO1 P14902 2/20 0.34
SSTR1 P30872 2/20 0.34
SSTR4 P31391 2/20 0.34
PPARG P37231 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL28064077 0.86 KDM4E (0.44) HTR7SSTR4
SCHEMBL28064072 0.84 ALDH1A1 (0.39) DRD2MGLL
SCHEMBL28064080 0.83 HRH3 (0.39) CYP2C9KCNH2
SCHEMBL28064081 0.83 PTGDR2 (0.40) PTGDR2RBP4HTR1AHTR7HTR1D
SCHEMBL28064071 0.83 ALDH1A1 (0.38) HTR1AHTR7DRD2HTR6PPARG
SCHEMBL2229166 0.82 PTGDR2 (0.40) PTGDR2RBP4HTR1AHTR7HTR1D
SCHEMBL28827928 0.81 MEN1 (0.39)
SCHEMBL28064078 0.80 TEAD1 (0.45) PPARG
SCHEMBL28088346 0.80 RAB9A (0.38) RBP4HTR2A
SCHEMBL28064075 0.79 KDM4E (0.39) PPARG

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