SCHEMBL6982695

SCHEMBL6982695

CCC(CC)CC(CCc1ccccc1)(C(=O)Cn1ccnc1)[C@@H](C(=O)NO)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
AGTR2 P50052 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ANPEP P15144 1/20 0.33
MMP8 P22894 1/20 0.33
HMOX2 P30519 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
SCHEMBL7816193 0.90 CTSS (0.35) CTSSCTSKANPEPMMP8HMOX2
SCHEMBL6980731 0.82 AGTR2 (0.34) CTSSCTSKAGTR2ALDH1A1MMP8
SCHEMBL7808546 0.81 CTSS (0.36) CTSSCTSKMMP8HMOX2
SCHEMBL6988039 0.79 CYP26A1 (0.36) MMP8HMOX2
SCHEMBL6987186 0.79 TBXAS1 (0.37) AGTR2ALDH1A1MMP8HMOX2
SCHEMBL6986290 0.77 CYP19A1 (0.34) CTSSCTSKAGTR2
SCHEMBL6982283 0.77 REN (0.36) CTSSCTSK
SCHEMBL6985861 0.77 HMOX2 (0.35) MMP8HMOX2
SCHEMBL6984090 0.76 AGTR2 (0.32) AGTR2MMP8
SCHEMBL7818934 0.75 CTSS (0.37) CTSSCTSKHMOX2

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed