SCHEMBL28064161

SCHEMBL28064161

O=C(Cc1nccs1)ON1CCC(CCOc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CHEK2 O96017 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HCRTR2 O43614 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
HPGD P15428 2/20 0.37
PPARA Q07869 1/20 0.37
CHRM5 P08912 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL28064061 0.87 PPARG (0.37) CHEK2PPARGPPARDPPARACHRM5
SCHEMBL28064076 0.86 PPARG (0.47) PPARGPPARDPPARACHRM5
SCHEMBL28064074 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBHPGDNPC1
SCHEMBL28088135 0.84 PPARG (0.40) KDM4EALDH1A1SMN1; SMN2POLBPPARG
SCHEMBL28064165 0.84 CHEK2 (0.42) CHEK2
SCHEMBL28064064 0.83 TEAD1 (0.41) KDM4EALDH1A1SMN1; SMN2HCRTR2PPARG
SCHEMBL28064059 0.83 HRH3 (0.39) POLBHCRTR2HPGD
SCHEMBL28064164 0.82 SIGMAR1 (0.38) KDM4EALDH1A1SMN1; SMN2SIGMAR1PPARG
SCHEMBL2227918 0.81 GRIN2B (0.44) HCRTR1KDM4EALDH1A1CHEK2SMN1; SMN2
SCHEMBL28064167 0.79 KCNA5 (0.46) KDM4EALDH1A1SMN1; SMN2PPARGPPARD

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