SCHEMBL6981364

SCHEMBL6981364

CCC[C@](C(=O)NN)(C(=O)[C@@H](C)N)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
CTSC P53634 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
SCHEMBL6983647 1.00 TGFBR1 (0.33) TGFBR1CTSC
SCHEMBL6940166 0.93 TGFBR1 (0.34) TGFBR1
SCHEMBL6945039 0.91 TGFBR1 (0.33) TGFBR1
SCHEMBL6977488 0.87 TGFBR1 (0.31) TGFBR1
SCHEMBL6946176 0.86 TGFBR1 (0.33) TGFBR1
SCHEMBL6985696 0.85 CTSC (0.35) CTSC
SCHEMBL6942205 0.84 TGFBR1 (0.32) TGFBR1
SCHEMBL6945267 0.84 TGFBR1 (0.32) TGFBR1
SCHEMBL6943304 0.79 TGFBR1 (0.34) TGFBR1
SCHEMBL6987488 0.79 ADAM17 (0.31) CTSC

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