SCHEMBL28064076

SCHEMBL28064076

O=C(Cc1nccs1)ON1CCC(CCOc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 5/20 0.47
GRM5 P41594 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR7 P34969 2/20 0.38
F10 P00742 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CHRM5 P08912 1/20 0.36
TSHR P16473 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
SCHEMBL28088135 0.91 PPARG (0.40) PPARGPPARDPPARAGRM5F10
SCHEMBL28064161 0.86 HCRTR1 (0.42) PPARGPPARDPPARACHRM5
SCHEMBL28064164 0.85 SIGMAR1 (0.38) PPARGPPARDPPARAHTR7CHRM5
SCHEMBL28064061 0.85 PPARG (0.37) PPARGPPARDPPARAGRM5CHRM5
SCHEMBL28064203 0.83 PPARG (0.46) PPARGPPARDPPARAGRM5CYP1A2
SCHEMBL2228183 0.81 GRM5 (0.46) PPARGPPARDPPARAGRM5CYP1A2
SCHEMBL28064167 0.81 KCNA5 (0.46) PPARGPPARDPPARA
SCHEMBL28064074 0.79 ALDH1A1 (0.42)
SCHEMBL28064063 0.79 KDM4E (0.40) TSHR
SCHEMBL28064165 0.77 CHEK2 (0.42)

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