SCHEMBL6987789

SCHEMBL6987789

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.31
TGFBR1 P36897 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
SCHEMBL7812038 0.84 CTSC (0.36) CTSC
SCHEMBL6984895 0.84 CTSC (0.33) CTSCTGFBR1
SCHEMBL6982201 0.82 TGFBR1 (0.33) CTSCTGFBR1
SCHEMBL6983333 0.80 TGFBR1 (0.33) CTSCTGFBR1
SCHEMBL6987478 0.80 TGFBR1 (0.31) CTSCTGFBR1
SCHEMBL6989494 0.77 ADAM17 (0.31) CTSC
SCHEMBL6987279 0.75 CTSC (0.32) CTSCTGFBR1
SCHEMBL6988239 0.75 P2RX3 (0.32) TGFBR1
SCHEMBL6983647 0.75 TGFBR1 (0.33) CTSCTGFBR1
SCHEMBL6981364 0.75 TGFBR1 (0.33) CTSCTGFBR1

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