SCHEMBL28064059

SCHEMBL28064059

O=C(Cc1nccs1)ON1CCC(CCOc2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 2/20 0.39
LTA4H P09960 1/20 0.38
HCRTR2 O43614 1/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.34
USP30 Q70CQ3 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ACKR3 P25106 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
SCHEMBL28064074 0.87 ALDH1A1 (0.42) LTA4HHRH2HRH1TEAD1TEAD3
SCHEMBL28064165 0.86 CHEK2 (0.42) HRH3LTA4HHRH2HRH1ACKR3
SCHEMBL28064161 0.83 HCRTR1 (0.42) HCRTR2POLBHPGD
SCHEMBL28064070 0.82 LTA4H (0.39) HRH3KCNH2LTA4HTEAD1TEAD3
SCHEMBL28064061 0.82 PPARG (0.37) KCNH2HRH2HRH1TEAD1TEAD3
SCHEMBL28064080 0.81 HRH3 (0.39) HRH3KCNH2LTA4HTEAD1TEAD3
SCHEMBL2227417 0.81 GRIN2B (0.44) HRH3KCNH2LTA4HHRH2HRH1
SCHEMBL28064064 0.80 TEAD1 (0.41) HCRTR2TEAD1TEAD3MEN1KMT2A
SCHEMBL28064167 0.77 KCNA5 (0.46) MEN1KMT2AHPGD
SCHEMBL28064164 0.77 SIGMAR1 (0.38) MEN1KMT2AGAAHPGD

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 2 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