SCHEMBL28064085

SCHEMBL28064085

O=C(Cc1cscn1)ON1CCC(CCOc2ccc(Cl)cc2)C(CCOc2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GPR119 Q8TDV5 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.35
HRH3 Q9Y5N1 8/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNA5 P22460 1/20 0.33

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
SCHEMBL28064182 0.91 LTA4H (0.36) LTA4HSLC6A3KCNA5
SCHEMBL28064062 0.87 RAB9A (0.39) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL27884721 0.79 MMP2 (0.43) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL28827928 0.79 MEN1 (0.39) KMT2AMEN1LTA4HSLC6A3
SCHEMBL28064078 0.76 TEAD1 (0.45) ALDH1A1LTA4HLMNA
SCHEMBL28064080 0.76 HRH3 (0.39) HPGDLTA4HLMNAHRH3KCNH2
SCHEMBL28946451 0.72 MMP2 (0.43) RAB9AKMT2AMEN1ALDH1A1LTA4H
SCHEMBL28064071 0.71 ALDH1A1 (0.38) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL9382209 0.71 SLC6A3 (0.48) RAB9ANPC1KMT2AALDH1A1GRM5
SCHEMBL28064082 0.70 KDM4E (0.41) KMT2AMEN1ALDH1A1LMNA

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 1 patent. 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 disclosed