SCHEMBL6981390

SCHEMBL6981390

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cn1ccnc1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.37
MMP2 P08253 1/20 0.37
REN P00797 8/20 0.36
NAMPT P43490 1/20 0.34
AGTR2 P50052 1/20 0.32
APP P05067 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
SCHEMBL6986904 0.94 REN (0.36) BMP1MMP2REN
SCHEMBL6982289 0.93 MMP1 (0.37) RENNAMPTAGTR2APP
SCHEMBL6987232 0.89 BMP1 (0.37) BMP1MMP2RENAPP
SCHEMBL6982041 0.86 BMP1 (0.39) BMP1MMP2REN
SCHEMBL6981709 0.86 BMP1 (0.38) BMP1MMP2RENAPP
SCHEMBL6979967 0.83 BMP1 (0.33) BMP1MMP2REN
SCHEMBL6988232 0.82 MMP1 (0.35) RENAPP
SCHEMBL6978664 0.82 KCNA5 (0.38) BMP1MMP2RENNAMPTAPP
SCHEMBL7930165 0.82 BMP1 (0.34) BMP1MMP2RENAPP
SCHEMBL6980505 0.82 MMP1 (0.36) MMP2RENAPP

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 2 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