SCHEMBL2286530

SCHEMBL2286530

O=C(OCc1cscn1)N1CCC(COc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CHRM4 P08173 1/20 0.40
PIM1 P11309 3/20 0.38
SCN9A Q15858 1/20 0.38
NOTUM Q6P988 1/20 0.37
GRIN2B Q13224 2/20 0.36
HSD11B1 P28845 1/20 0.36
PTGER2 P43116 1/20 0.36
BCL9 O00512 2/20 0.36
CTNNB1 P35222 2/20 0.36
MGLL Q99685 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
MAPK7 Q13164 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL2228696 0.84 MMP2 (0.48) MMP2MMP9GRIN2B
SCHEMBL2363729 0.82 MGLL (0.44) MMP2MMP9MGLLUSP30
SCHEMBL2228670 0.82 MMP2 (0.45) MMP2MMP9GRIN2B
SCHEMBL2228689 0.82 MMP2 (0.43) MMP2MMP9GRIN2BMGLL
SCHEMBL2228470 0.82 MMP2 (0.47) MMP2MMP9GRIN2B
SCHEMBL2228990 0.80 MMP2 (0.46) MMP2MMP9GRIN2B
SCHEMBL2229023 0.80 MMP2 (0.45) MMP2MMP9GRIN2BMGLL
SCHEMBL2362512 0.80 MMP2 (0.43) MMP2MMP9GRIN2B
SCHEMBL2227253 0.79 MMP2 (0.43) MMP2MMP9GRIN2B
SCHEMBL2229360 0.79 MMP2 (0.43) MMP2MMP9GRIN2B

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