SCHEMBL6982346

SCHEMBL6982346

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
CTSC P53634 1/20 0.35
TGFBR1 P36897 1/20 0.32
CTSK P43235 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
SCHEMBL6988246 0.92 ADAM17 (0.43) ADAM17CTSCTGFBR1
SCHEMBL6986902 0.91 ADAM17 (0.42) ADAM17CTSCTGFBR1
SCHEMBL6987554 0.91 ADAM17 (0.42) ADAM17CTSCTGFBR1
SCHEMBL6982207 0.91 ADAM17 (0.42) ADAM17CTSCTGFBR1
SCHEMBL6987483 0.90 ADAM17 (0.41) ADAM17CTSCTGFBR1
SCHEMBL6986338 0.90 ADAM17 (0.41) ADAM17TGFBR1
SCHEMBL6984594 0.89 ADAM17 (0.43) ADAM17CTSCTGFBR1
SCHEMBL6986737 0.89 ADAM17 (0.43) ADAM17CTSCTGFBR1
SCHEMBL6988681 0.89 ADAM17 (0.43) ADAM17CTSCTGFBR1
SCHEMBL6987093 0.89 ADAM17 (0.44) ADAM17CTSCTGFBR1

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