SCHEMBL6984901

SCHEMBL6984901

CC[C@H](C)CN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)C(=O)[C@@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.43
CTSC P53634 1/20 0.34
TGFBR1 P36897 1/20 0.32
APP P05067 1/20 0.31
P2RX3 P56373 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
SCHEMBL6987120 0.94 ADAM17 (0.43) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6987093 0.92 ADAM17 (0.44) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6988246 0.91 ADAM17 (0.43) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6984594 0.90 ADAM17 (0.43) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6988681 0.90 ADAM17 (0.43) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6986737 0.90 ADAM17 (0.43) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6987284 0.89 ADAM17 (0.42) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6982297 0.89 ADAM17 (0.42) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6946853 0.89 ADAM17 (0.50) ADAM17CTSCTGFBR1APPP2RX3
SCHEMBL6987483 0.89 ADAM17 (0.41) ADAM17CTSCTGFBR1APP

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 2 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