SCHEMBL6983937

SCHEMBL6983937

CC(C)CNNC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.42
P2RX3 P56373 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TGFBR1 P36897 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
ANPEP P15144 2/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 1/20 0.33
NPEPPS P55786 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
APP P05067 1/20 0.33
CTSC P53634 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL7955132 0.90 ADAM17 (0.44) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL7835552 0.90 ADAM17 (0.44) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6947400 0.89 ADAM17 (0.46) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6937845 0.89 ADAM17 (0.46) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6946530 0.85 ADAM17 (0.40) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6945370 0.85 ADAM17 (0.49) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6946529 0.85 ADAM17 (0.40) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6945376 0.85 ADAM17 (0.49) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6940169 0.84 ADAM17 (0.45) ADAM17P2RX3CCNA2CDK2CCNA1
SCHEMBL6943375 0.84 ADAM17 (0.53) ADAM17P2RX3CCNA2CDK2CCNA1

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 6 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
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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