SCHEMBL7098757

SCHEMBL7098757

O=C(NCCNc1ccccc1)C(NC(=O)[C@@H](S)Cc1ccccc1)C(=O)NCCNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.55
ACE P12821 5/20 0.50
CPA1 P15085 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
LAP3 P28838 1/20 0.41

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
SCHEMBL7098121 1.00 MME (0.55) MMEACECPA1ACE2CTSK
SCHEMBL7102694 0.85 MME (0.58) MMEACECPA1ACE2TSHR
SCHEMBL7102697 0.85 MME (0.58) MMEACECPA1ACE2TSHR
SCHEMBL7104108 0.84 CTSK (0.46) MMEACECTSKCTSLCTSS
SCHEMBL7104112 0.84 CTSK (0.46) MMEACECTSKCTSLCTSS
SCHEMBL7102259 0.83 MMP8 (0.58) MMEACECPA1ACE2
SCHEMBL7102264 0.83 MMP8 (0.58) MMEACECPA1ACE2
SCHEMBL7099569 0.82 MME (0.61) MMEACECPA1ACE2CYP3A4
SCHEMBL7099566 0.82 MME (0.61) MMEACECPA1ACE2CYP3A4
SCHEMBL7098130 0.81 MME (0.53) MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed