SCHEMBL28064081

SCHEMBL28064081

O=C(Cc1cncs1)ON1CCC(CCOc2ccccc2C2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
IDO1 P14902 4/20 0.38
RBP4 P02753 2/20 0.38
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRMT5 O14744 2/20 0.34
HTR1A P08908 2/20 0.34
WDR77 Q9BQA1 1/20 0.34
HTR7 P34969 1/20 0.34
SSTR1 P30872 2/20 0.34
SSTR4 P31391 2/20 0.34
PPARG P37231 2/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 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
SCHEMBL28064102 0.86 KDM4E (0.41) IDO1MEN1KMT2AHTR7SSTR4
SCHEMBL28064084 0.84 TEAD1 (0.47) PPARG
SCHEMBL28064070 0.84 LTA4H (0.39) CYP2C9KCNH2
SCHEMBL28064163 0.83 ALDH1A1 (0.38) IDO1MEN1KMT2AHTR1AHTR7
SCHEMBL28064089 0.83 PTGDR2 (0.40) PTGDR2IDO1RBP4HTR1DHTR1B
SCHEMBL2229065 0.82 PTGDR2 (0.40) PTGDR2IDO1RBP4HTR1DHTR1B
SCHEMBL28064087 0.81 TEAD1 (0.44)
SCHEMBL28064086 0.81 LTA4H (0.39) MEN1KMT2A
SCHEMBL28088153 0.80 HRH3 (0.37) MEN1KMT2A
SCHEMBL28064203 0.79 PPARG (0.46) HTR7PPARGCYP1A2CYP2D6CYP2C9

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