SCHEMBL6987817

SCHEMBL6987817

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(C(=O)[C@@H](C)N)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
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
TGFBR1 P36897 1/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL6980391 0.99 MMP2 (0.33) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6980393 0.99 MMP2 (0.33) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6983367 0.95 MMP2 (0.32) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6987091 0.94 MMP2 (0.31) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6982356 0.94 MMP2 (0.31) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6982932 0.88 P2RX3 (0.32) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL7812779 0.87
SCHEMBL7815748 0.87
SCHEMBL6987274 0.87 MMP2 (0.31) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6986731 0.86 MMP2 (0.31) P2RX3MMP2MMP9ANPEPLTA4H

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