SCHEMBL2229360

SCHEMBL2229360

O=C(OCc1cscn1)N1CCC(COc2ccc3cnccc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
FASN P49327 4/20 0.37
GRIN2B Q13224 4/20 0.36
F10 P00742 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL2227253 0.98 MMP2 (0.43) MMP2MMP9FASNGRIN2BF10
SCHEMBL2228696 0.89 MMP2 (0.48) MMP2MMP9GRIN2B
SCHEMBL2228470 0.89 MMP2 (0.47) MMP2MMP9GRIN2BF10
SCHEMBL2228462 0.88 MMP2 (0.40) MMP2MMP9GRIN2BCYP3A4CYP2D6
SCHEMBL2228990 0.88 MMP2 (0.46) MMP2MMP9GRIN2B
SCHEMBL2227262 0.87 MMP2 (0.41) MMP2MMP9GRIN2BCYP3A4CYP2D6
SCHEMBL2228689 0.84 MMP2 (0.43) MMP2MMP9GRIN2B
SCHEMBL2228670 0.82 MMP2 (0.45) MMP2MMP9FASNGRIN2B
SCHEMBL2229023 0.82 MMP2 (0.45) MMP2MMP9GRIN2B
SCHEMBL2362512 0.80 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