SCHEMBL28064165

SCHEMBL28064165

NC(=O)c1ccc(OCCC2CCN(OC(=O)Cc3nccs3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
PARP10 Q53GL7 5/20 0.40
PARP15 Q460N3 4/20 0.40
PARP2 Q9UGN5 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TBXAS1 P24557 1/20 0.38
ACKR3 P25106 1/20 0.37
LTA4H P09960 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
SCHEMBL28064074 0.88 ALDH1A1 (0.42) HRH2HRH1LTA4H
SCHEMBL28064059 0.86 HRH3 (0.39) HRH2HRH1HRH3ACKR3LTA4H
SCHEMBL28064161 0.84 HCRTR1 (0.42) CHEK2
SCHEMBL28064061 0.82 PPARG (0.37) CHEK2HRH2HRH1ACKR3
SCHEMBL28064068 0.82 PARP10 (0.53) CHEK2PARP10PARP15PARP2HRH3
SCHEMBL2227687 0.81 CHEK2 (0.47) CHEK2HRH2HRH1PARP10PARP15
SCHEMBL28064064 0.80 TEAD1 (0.41)
SCHEMBL28064076 0.77 PPARG (0.47)
SCHEMBL28064167 0.77 KCNA5 (0.46)
SCHEMBL28064164 0.77 SIGMAR1 (0.38)

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