SCHEMBL28064074

SCHEMBL28064074

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
KCNA5 P22460 2/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28064165 0.88 CHEK2 (0.42) LTA4HHRH2HRH1
SCHEMBL28064059 0.87 HRH3 (0.39) HPGDLTA4HTEAD1TEAD3HRH2
SCHEMBL28827929 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1NPC1TP53
SCHEMBL28064161 0.85 HCRTR1 (0.42) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL28064061 0.84 PPARG (0.37) TEAD1TEAD3HRH2HRH1KCNA5
SCHEMBL28064064 0.82 TEAD1 (0.41) ALDH1A1SMN1; SMN2TEAD1TEAD3KCNA5
SCHEMBL28064086 0.81 LTA4H (0.39) SMN1; SMN2LTA4HTEAD1TEAD3MAPT
SCHEMBL28064164 0.81 SIGMAR1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1HPGDKCNA5
SCHEMBL28827928 0.81 MEN1 (0.39) SMN1; SMN2LTA4HTEAD1TEAD3MAPT
SCHEMBL2230111 0.80 GRIN2B (0.48) ALDH1A1TEAD1TEAD3HRH2HRH1

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