SCHEMBL6982289

SCHEMBL6982289

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cn1ccnc1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
REN P00797 2/20 0.33
AGTR2 P50052 1/20 0.32
APP P05067 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL6981390 0.93 BMP1 (0.37) RENAGTR2APPNAMPT
SCHEMBL6986904 0.90 REN (0.36) MMP1MMP13REN
SCHEMBL6988232 0.89 MMP1 (0.35) MMP1MMP13RENAPP
SCHEMBL6980505 0.88 MMP1 (0.36) MMP1MMP13RENAPP
SCHEMBL6982858 0.86 MMP1 (0.38) MMP1MMP13REN
SCHEMBL6981387 0.85 MMP1 (0.36) MMP1MMP13RENAPP
SCHEMBL7816201 0.84 MMP1 (0.44) MMP1MMP13
SCHEMBL6987232 0.82 BMP1 (0.37) RENAPP
SCHEMBL6982715 0.81 CYP1A2 (0.37) MMP1MMP13
SCHEMBL6982041 0.79 BMP1 (0.39) REN

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