SCHEMBL6983057

SCHEMBL6983057

CCC[C@](CC(C)C)(C(=O)NN)C(=O)c1c(C)csc1[C@@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.33
CTSC P53634 1/20 0.33
HTR2A P28223 3/20 0.31
MASP2 O00187 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
SCHEMBL6986205 0.79 ADAM17 (0.32) ADAM17
Hydrochloric Acid SCHEMBL6982151 0.76 CTSC (0.35) ADAM17CTSCHTR2AMASP2
SCHEMBL6983517 0.76 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6987205 0.76 ADAM17 (0.37) ADAM17CTSC
Hydrochloric Acid SCHEMBL6982639 0.74 CTSC (0.36) ADAM17CTSCHTR2AMASP2
SCHEMBL6941953 0.73 ADAM17 (0.39) ADAM17CTSCHTR2AMASP2
SCHEMBL7815423 0.71 ADAM17 (0.34) ADAM17CTSCHTR2AMASP2
SCHEMBL6984201 0.71 ADAM17 (0.37) ADAM17CTSC
SCHEMBL7812777 0.70 ADAM17 (0.36) ADAM17CTSC
SCHEMBL6985011 0.70 ADAM17 (0.31) ADAM17CTSC

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