SCHEMBL6982555

SCHEMBL6982555

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOCc1ccccc1)C(CCC1CCCC1)(CC(C)C)C(=O)CC(=O)c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.33
REN P00797 10/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EED O75530 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6983030 0.87 MMP1 (0.32) MMP2MMP8
SCHEMBL7805787 0.84 TDP1 (0.32) TDP1
SCHEMBL7805463 0.83 MEN1 (0.30)
SCHEMBL6980577 0.76 MMP1 (0.35)
SCHEMBL6982558 0.74 BMP1 (0.33) ECE1RENMMP2CTSSCTSK
SCHEMBL7812254 0.74 PSEN1 (0.35) RENMMP2MMP9MMP8GPR88
SCHEMBL7815484 0.74 MMP8 (0.31) MMP8
SCHEMBL6983113 0.71 CYP1A2 (0.36) RENCTSSCTSK
SCHEMBL7812670 0.67 GPR88 (0.32) GPR88
SCHEMBL6986934 0.67 CTSK (0.44) CTSSCTSK

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