SCHEMBL15428846

SCHEMBL15428846

CNC(=O)[C@@H](N)C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
HPN P05981 1/20 0.33
PIK3CD O00329 1/20 0.32
GLS O94925 1/20 0.31
AAK1 Q2M2I8 3/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MME P08473 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL10268612 0.86
SCHEMBL17617086 0.86
SCHEMBL24900230 0.82 DPP4 (0.43) GLSAAK1MMP1MMP9MMP14
SCHEMBL28928684 0.82 GLS (0.40) GLSAAK1MMP1MMP2MMP3
SCHEMBL28655865 0.82 GLS (0.40) GLSAAK1MMP1MMP2MMP3
SCHEMBL14421459 0.82 DPP4 (0.43) GLSAAK1MMP1MMP9MMP14
SCHEMBL29123674 0.80
SCHEMBL1174761 0.80 DPP4 (0.46) GLSMMP1MMP2MMP3MMP9
SCHEMBL14097634 0.80 DPP4 (0.46) GLSMMP1MMP2MMP3MMP9
SCHEMBL17617089 0.80

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
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed