SCHEMBL6982384

SCHEMBL6982384

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@H](N)CO)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.47
CTSC P53634 1/20 0.33
TGFBR1 P36897 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
MASP2 O00187 1/20 0.30
P2RX3 P56373 1/20 0.30
APP P05067 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6946853 0.93 ADAM17 (0.50) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6988787 0.92 ADAM17 (0.47) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6986307 0.92 ADAM17 (0.47) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6945370 0.91 ADAM17 (0.49) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6945376 0.91 ADAM17 (0.49) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6980547 0.89 ADAM17 (0.45) ADAM17TGFBR1P2RX3
SCHEMBL6983157 0.89 ADAM17 (0.45) ADAM17TGFBR1P2RX3
SCHEMBL6945800 0.89 ADAM17 (0.47) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6944451 0.89 ADAM17 (0.47) ADAM17CTSCTGFBR1P2RX3APP
SCHEMBL6987093 0.88 ADAM17 (0.44) ADAM17CTSCTGFBR1P2RX3APP

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