SCHEMBL2228670

SCHEMBL2228670

O=C(OCc1cscn1)N1CCC(COc2ccc3c(F)cccc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
GRIN2B Q13224 7/20 0.37
KDM4E B2RXH2 1/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
GALR3 O60755 1/20 0.34
ATM Q13315 1/20 0.34
FASN P49327 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
SCHEMBL2229023 0.90 MMP2 (0.45) MMP2MMP9GRIN2BKDM4ETNF
SCHEMBL2228696 0.89 MMP2 (0.48) MMP2MMP9GRIN2BKDM4ETNF
SCHEMBL2228470 0.85 MMP2 (0.47) MMP2MMP9GRIN2BKDM4E
SCHEMBL2228990 0.84 MMP2 (0.46) MMP2MMP9GRIN2BKDM4E
SCHEMBL2286530 0.82 MMP2 (0.41) MMP2MMP9GRIN2B
SCHEMBL2229360 0.82 MMP2 (0.43) MMP2MMP9GRIN2BFASN
SCHEMBL2227253 0.82 MMP2 (0.43) MMP2MMP9GRIN2BFASN
SCHEMBL2362512 0.82 MMP2 (0.43) MMP2MMP9GRIN2BHCRTR1HCRTR2
SCHEMBL2228689 0.82 MMP2 (0.43) MMP2MMP9GRIN2BMAPTRAB9A
SCHEMBL2355876 0.80 FFAR4 (0.42) GRIN2BHCRTR1HCRTR2

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 disclosed