SCHEMBL6981703

SCHEMBL6981703

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCC1CCCCC1)(Cc1ccccc1)C(=O)CCCN

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.33
REN P00797 13/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
PSMB5 P28074 1/20 0.31
KLK7 P49862 1/20 0.31
BCHE P06276 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
SCHEMBL6986123 0.89 CTSS (0.36) MMP3REN
SCHEMBL7805709 0.85 GPR88 (0.34) MMP3RENPSEN1PSEN2APH1B
SCHEMBL6981386 0.85 REN (0.38) MMP3REN
SCHEMBL6983113 0.84 CYP1A2 (0.36) REN
SCHEMBL6982709 0.84 CTSK (0.37) MMP3
SCHEMBL6986860 0.83 MMP3 (0.35) MMP3REN
SCHEMBL6982395 0.80 MMP3 (0.35) MMP3RENPSEN1PSEN2APH1B
SCHEMBL6982283 0.79 REN (0.36) MMP3REN
SCHEMBL7812670 0.79 GPR88 (0.32) MMP3
SCHEMBL6985184 0.76 MMP8 (0.40) MMP3

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