SCHEMBL2233909

SCHEMBL2233909

O=C(OCc1nccs1)N1CC[C@H](COc2ccc3ccccc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
GRIN2B Q13224 6/20 0.46
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
KCNA5 P22460 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40

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 1.00 MMP2 (0.48) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2228428 1.00 MMP2 (0.48) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2227124 0.89 MMP2 (0.44) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2228626 0.87 GRIN2B (0.48) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2286420 0.83 GRIN2B (0.43) MMP2MMP9GRIN2BMAPTMEN1
Trifluoroacetic Acid SCHEMBL2287813 0.82 GRIN2B (0.47) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2228696 0.81 MMP2 (0.48) MMP2MMP9GRIN2BRAB9AMAPT
SCHEMBL2227752 0.81 GRIN2B (0.44) MMP2MMP9GRIN2BMAPTALDH1A1
SCHEMBL2229355 0.80 GRIN2B (0.42) MMP2MMP9GRIN2BKCNA5
SCHEMBL2227267 0.78 GRIN2B (0.44) MMP2MMP9GRIN2BRAB9AMAPT

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