SCHEMBL28064077

SCHEMBL28064077

CCOc1ccccc1OCCC1CCN(OC(=O)Cc2cscn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
OPRD1 P41143 1/20 0.36
SSTR4 P31391 1/20 0.36
HTR7 P34969 1/20 0.35
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BLM P54132 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL28064072 0.89 ALDH1A1 (0.39) KDM4ETEAD1TEAD3MEN1KMT2A
SCHEMBL28064089 0.86 PTGDR2 (0.40) SSTR4HTR7
SCHEMBL28064071 0.85 ALDH1A1 (0.38) KDM4EHTR7MEN1KMT2AALDH1A1
SCHEMBL28064075 0.83 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28064078 0.83 TEAD1 (0.45) KDM4ETEAD1TEAD3ALDH1A1
SCHEMBL28088346 0.82 RAB9A (0.38) KDM4EPOLBALDH1A1
SCHEMBL28064102 0.82 KDM4E (0.41) KDM4ESSTR4HTR7TEAD1TEAD3
SCHEMBL2228993 0.81 KDM4E (0.44) KDM4EOPRD1TEAD1TEAD3MEN1
SCHEMBL28064062 0.80 RAB9A (0.39) TEAD1TEAD3MEN1KMT2AALDH1A1
SCHEMBL28064082 0.80 KDM4E (0.41) KDM4ETEAD1TEAD3MEN1KMT2A

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