SCHEMBL6988077

SCHEMBL6988077

CC(C)CN(NC(=O)[C@H](CC1CCC1)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)C(=O)[C@@H](C)N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.39
TGFBR1 P36897 1/20 0.33
METAP2 P50579 3/20 0.33
METAP1 P53582 3/20 0.33
CTSC P53634 1/20 0.31
P2RX3 P56373 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
SCHEMBL6986009 0.99 ADAM17 (0.40) ADAM17TGFBR1METAP2METAP1CTSC
SCHEMBL6982394 0.90 ADAM17 (0.37) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6987093 0.88 ADAM17 (0.44) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6987284 0.88 ADAM17 (0.42) ADAM17TGFBR1METAP2METAP1CTSC
SCHEMBL6946853 0.87 ADAM17 (0.50) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6984901 0.87 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6987120 0.87 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6988681 0.87 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6988787 0.87 ADAM17 (0.47) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6986307 0.87 ADAM17 (0.47) ADAM17TGFBR1CTSCP2RX3

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