SCHEMBL6979941

SCHEMBL6979941

CCC(CC)CN(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)C(=O)Cn1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.42
MMP13 P45452 2/20 0.42
MMP8 P22894 1/20 0.36
APP P05067 2/20 0.36
ADAM17 P78536 3/20 0.34
FCER2 P06734 2/20 0.34
MMP3 P08254 3/20 0.34
MMP2 P08253 5/20 0.33
MMP7 P09237 3/20 0.33
TSHR P16473 1/20 0.33
MMP9 P14780 2/20 0.33
ANPEP P15144 1/20 0.33
MMP10 P09238 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
MMP14 P50281 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL6980311 0.94 MMP1 (0.42) MMP1MMP13MMP8APPADAM17
SCHEMBL6980811 0.90 MMP1 (0.44) MMP1MMP13MMP8APPADAM17
SCHEMBL6982700 0.87 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6982840 0.86 MMP1 (0.42) MMP1MMP13MMP8APPADAM17
SCHEMBL6979855 0.82 MMP1 (0.38) MMP1MMP13MMP8APPADAM17
SCHEMBL6981814 0.80 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6983240 0.80 MMP1 (0.42) MMP1MMP13MMP8APPADAM17
SCHEMBL6982847 0.78 ADAM17 (0.42) MMP1MMP13MMP8ADAM17MMP3
SCHEMBL7816201 0.77 MMP1 (0.44) MMP1MMP13MMP8MMP3MMP2
SCHEMBL6980505 0.75 MMP1 (0.36) MMP1MMP13APPADAM17MMP2

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