SCHEMBL6986904

SCHEMBL6986904

CC(C)C[C@@H](C(=O)NN(CCc1ccccc1)C(=O)Cn1ccnc1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.36
BMP1 P13497 2/20 0.34
MMP2 P08253 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
NMT2 O60551 2/20 0.33
NMT1 P30419 2/20 0.33
MMP3 P08254 1/20 0.32

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 0.94 BMP1 (0.37) RENBMP1MMP2
SCHEMBL6982289 0.90 MMP1 (0.37) RENMMP1MMP13
SCHEMBL6979967 0.89 BMP1 (0.33) RENBMP1MMP2MMP1MMP13
SCHEMBL7930165 0.89 BMP1 (0.34) RENBMP1MMP2MMP1MMP13
SCHEMBL6983470 0.86 BMP1 (0.39) RENBMP1MMP2MMP1MMP13
SCHEMBL6987232 0.83 BMP1 (0.37) RENBMP1MMP2
SCHEMBL6989602 0.82 KCNA5 (0.36) RENBMP1MMP2MMP1MMP13
SCHEMBL6981387 0.81 MMP1 (0.36) RENMMP1MMP13
SCHEMBL6982041 0.80 BMP1 (0.39) RENBMP1MMP2
SCHEMBL6986604 0.79 BMP1 (0.30) BMP1MMP2

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