SCHEMBL6982838

SCHEMBL6982838

CCCC(CC(CC)CC)(C(=O)NN)C(=O)[C@@H]([C@H](CCCc1ccccc1)C(=O)NO)N1CN(C)C=N1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.34
MMP3 P08254 6/20 0.34
MMP1 P03956 3/20 0.30
MMP13 P45452 1/20 0.30
TSHR P16473 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL6983239 0.93 MMP2 (0.32) MMP2MMP3MMP1MMP13TSHR
SCHEMBL7142417 0.85 MMP2 (0.36) MMP2MMP3MMP1MMP9
SCHEMBL6985386 0.85 FKBP1A (0.32) MMP2MMP3MMP1MMP9
SCHEMBL6979940 0.81 MMP3 (0.34) MMP2MMP3MMP1MMP13TSHR
SCHEMBL6988228 0.79 TGFBR1 (0.30)
SCHEMBL6988468 0.78 MMP2 (0.35) MMP2MMP3MMP1
SCHEMBL6987034 0.76 BMP1 (0.33) MMP2MMP3MMP1
SCHEMBL6980306 0.75 MMP2 (0.32) MMP2MMP3MMP1MMP13TSHR
SCHEMBL6979963 0.74 PPARG (0.33) MMP2
SCHEMBL6980808 0.74 MMP3 (0.34) MMP2MMP3MMP1MMP13TSHR

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