SCHEMBL6986860

SCHEMBL6986860

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCCCN)(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.35
REN P00797 5/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
ACE P12821 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 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
SCHEMBL6984591 0.89 CTSK (0.38) MMP3MEN1KMT2ACTSLCTSS
SCHEMBL6981703 0.83 MMP3 (0.33) MMP3REN
SCHEMBL6982709 0.78 CTSK (0.37) MMP3MEN1KMT2ACTSLCTSS
SCHEMBL7812670 0.78 GPR88 (0.32) MMP3MEN1TSHRKMT2A
SCHEMBL6982283 0.78 REN (0.36) MMP3RENCTSSCTSK
SCHEMBL6983813 0.77 MEN1 (0.36) MMP3RENMEN1TSHRKMT2A
SCHEMBL6986731 0.76 MMP2 (0.31) MMP3ERAP2ERAP1MMP1MMP2
SCHEMBL6943971 0.76 ADAM17 (0.32) MMP3RENERAP2ERAP1MMP2
SCHEMBL6946835 0.75 ADAM17 (0.32) RENERAP2ERAP1MMP2
SCHEMBL6981382 0.74 REN (0.32) MMP3REN

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