SCHEMBL6982558

SCHEMBL6982558

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)CC(=O)c1ncc[nH]1)[C@H](CCCC1CCCC1)C(=O)NOCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.33
MMP2 P08253 1/20 0.33
REN P00797 2/20 0.32
ECE1 P42892 1/20 0.32
APP P05067 1/20 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
CACNA1B Q00975 1/20 0.31
GHSR Q92847 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EED O75530 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
SCHEMBL6983032 0.86 MMP3 (0.34) BMP1MMP2APP
SCHEMBL6980581 0.76 ADAM17 (0.36) MMP2
SCHEMBL6982555 0.74 ECE1 (0.33) MMP2RENECE1CTSSCTSK
SCHEMBL7836876 0.71 REN (0.38) MMP2RENECE1APPPSEN1
SCHEMBL7836878 0.71 REN (0.38) MMP2RENECE1APPPSEN1
SCHEMBL6982381 0.69 CTSK (0.43) RENCTSSCTSK
SCHEMBL6986937 0.68 CTSK (0.44) CTSSCTSK
SCHEMBL6983836 0.68 CTSK (0.44) CTSSCTSK
SCHEMBL6981709 0.67 BMP1 (0.38) BMP1MMP2RENAPPPSEN1
SCHEMBL6983470 0.67 BMP1 (0.39) BMP1MMP2REN

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