SCHEMBL7207456

SCHEMBL7207456

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCNc1ccc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP14 P50281 1/20 0.42
PYGL P06737 11/20 0.37
MMP3 P08254 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
TACR1 P25103 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL7207452 1.00 MMP9 (0.42) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7211704 0.87 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7211698 0.87 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7205745 0.86 ALDH1A1 (0.47) MMP9MMP8MMP14
SCHEMBL7205747 0.86 ALDH1A1 (0.47) MMP9MMP8MMP14
SCHEMBL7204427 0.82 MMP9 (0.47) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7204419 0.82 MMP9 (0.47) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207194 0.82 MMP9 (0.41) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207197 0.82 MMP9 (0.41) MMP9MMP8MMP14PYGLMMP3
Hydrochloric Acid SCHEMBL7205259 0.80 MMP9 (0.51) 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