SCHEMBL6981814

SCHEMBL6981814

CC[C@H](C)CN(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)C(=O)Cn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
MMP8 P22894 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL6982700 0.94 MMP1 (0.42) MMP1MMP13MMP8CYP3A4CYP2D6
SCHEMBL7816201 0.90 MMP1 (0.44) MMP1MMP13MMP8CYP3A4CYP2D6
SCHEMBL6980311 0.87 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6983240 0.87 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6980734 0.82 KCNA5 (0.43) MMP1MMP13MMP8
SCHEMBL6982089 0.82 MMP1 (0.47) MMP1MMP13MMP8APP
SCHEMBL6982840 0.80 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6979941 0.80 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6988045 0.79 CYP26A1 (0.38) CYP3A4CYP2D6
SCHEMBL6984386 0.79 ADAM17 (0.44) MMP1MMP13MMP8

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