SCHEMBL7207197

SCHEMBL7207197

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCNc1nccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP14 P50281 1/20 0.41
PYGL P06737 9/20 0.38
MMP3 P08254 1/20 0.38
ADORA3 P0DMS8 5/20 0.37
ADORA2A P29274 5/20 0.37
ADORA1 P30542 5/20 0.37
TAAR1 Q96RJ0 1/20 0.34
ADORA2B P29275 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
SCHEMBL7207194 1.00 MMP9 (0.41) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207452 0.82 MMP9 (0.42) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207456 0.82 MMP9 (0.42) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7206651 0.81 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7206644 0.81 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
Hydrochloric Acid SCHEMBL7205259 0.79 MMP9 (0.51) MMP9MMP8MMP14PYGLMMP3
Hydrochloric Acid SCHEMBL8199774 0.79 MMP9 (0.51) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7203960 0.79 MMP9 (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7203966 0.79 MMP9 (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL5587642 0.79 MMP9 (0.63) MMP9MMP8MMP14PYGLMMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed