SCHEMBL2227124

SCHEMBL2227124

O=C(OCc1nccs1)N1CCC(COc2ccc3c(Cl)cccc3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
GRIN2B Q13224 5/20 0.40
F2 P00734 4/20 0.39
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
GALR3 O60755 1/20 0.35
ATM Q13315 1/20 0.35
HTR1A P08908 1/20 0.35
SLC2A1 P11166 1/20 0.35
ENPP2 Q13822 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
SCHEMBL2228431 0.89 MMP2 (0.48) MMP2MMP9GRIN2BKDM4ETNF
SCHEMBL2233909 0.89 MMP2 (0.48) MMP2MMP9GRIN2BKDM4ETNF
SCHEMBL2228428 0.89 MMP2 (0.48) MMP2MMP9GRIN2BKDM4ETNF
SCHEMBL2229023 0.83 MMP2 (0.45) MMP2MMP9GRIN2BF2GRM5
SCHEMBL2358210 0.80 F2 (0.43) GRIN2BF2KDM4ETNFLMNA
SCHEMBL2286420 0.78 GRIN2B (0.43) MMP2MMP9GRIN2BLMNAMAPT
SCHEMBL2228626 0.76 GRIN2B (0.48) MMP2MMP9GRIN2BKDM4ELMNA
SCHEMBL2226607 0.75 MMP2 (0.43) MMP2MMP9GRIN2BKDM4ELMNA
SCHEMBL2227918 0.74 GRIN2B (0.44) MMP2MMP9GRIN2BGRM5KDM4E
SCHEMBL2229512 0.73 MAPT (0.50) MMP2MMP9GRIN2BKDM4ETNF

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