SCHEMBL6986009

SCHEMBL6986009

CC(C)CN(NC(=O)[C@H](CC1CCCC1)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)C(=O)[C@@H](C)N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.40
TGFBR1 P36897 1/20 0.33
METAP2 P50579 3/20 0.33
METAP1 P53582 3/20 0.33
CTSC P53634 1/20 0.32
P2RX3 P56373 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CTSD P07339 1/20 0.30
HTR2A P28223 3/20 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
SCHEMBL6988077 0.99 ADAM17 (0.39) ADAM17TGFBR1METAP2METAP1CTSC
SCHEMBL6982394 0.90 ADAM17 (0.37) ADAM17TGFBR1CTSCP2RX3LNPEP
SCHEMBL6987093 0.88 ADAM17 (0.44) ADAM17TGFBR1CTSCP2RX3CCNA2
SCHEMBL6987284 0.88 ADAM17 (0.42) ADAM17TGFBR1METAP2METAP1CTSC
SCHEMBL6946853 0.88 ADAM17 (0.50) ADAM17TGFBR1CTSCP2RX3CCNA2
SCHEMBL6984901 0.88 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6987120 0.88 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6988681 0.87 ADAM17 (0.43) ADAM17TGFBR1CTSCP2RX3
SCHEMBL6988787 0.87 ADAM17 (0.47) ADAM17TGFBR1CTSCP2RX3CCNA2
SCHEMBL6986307 0.87 ADAM17 (0.47) ADAM17TGFBR1CTSCP2RX3CCNA2

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