SCHEMBL2363729

SCHEMBL2363729

N#Cc1cccc(-c2cccc(OCC3CCN(C(=O)OCc4cscn4)C3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.44
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
CPT2 P23786 3/20 0.40
CPT1A P50416 3/20 0.40
CPT1B Q92523 1/20 0.40
USP30 Q70CQ3 5/20 0.39
FFAR4 Q5NUL3 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL2227170 0.84 MGLL (0.50) MGLLMMP2MMP9HRH2HRH1
SCHEMBL2227846 0.84 HRH2 (0.44) MGLLMMP2MMP9HRH2HRH1
SCHEMBL2286530 0.82 MMP2 (0.41) MGLLMMP2MMP9USP30
SCHEMBL2228696 0.82 MMP2 (0.48) MMP2MMP9
SCHEMBL2362512 0.80 MMP2 (0.43) MMP2MMP9
SCHEMBL2228470 0.80 MMP2 (0.47) MMP2MMP9
SCHEMBL2228689 0.80 MMP2 (0.43) MGLLMMP2MMP9
SCHEMBL2229435 0.78 TEAD1 (0.45) MMP2MMP9
SCHEMBL2228990 0.78 MMP2 (0.46) MMP2MMP9
SCHEMBL2229023 0.78 MMP2 (0.45) MGLLMMP2MMP9

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
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed