SCHEMBL6982386

SCHEMBL6982386

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.31
P2RX3 P56373 1/20 0.31
MGLL Q99685 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
SCHEMBL6987085 0.85 MMP2 (0.32) TGFBR1
SCHEMBL6946851 0.84 MMP2 (0.33) TGFBR1P2RX3MGLL
SCHEMBL6987112 0.84 MMP2 (0.32)
SCHEMBL6986302 0.84 MMP2 (0.34) TGFBR1P2RX3MGLL
SCHEMBL6988780 0.84 MMP2 (0.34) TGFBR1P2RX3MGLL
SCHEMBL6986731 0.83 MMP2 (0.31) TGFBR1P2RX3
SCHEMBL6988674 0.82 MMP2 (0.31) TGFBR1
SCHEMBL6987274 0.82 MMP2 (0.31) TGFBR1P2RX3
SCHEMBL6982294 0.82 MMP2 (0.30) TGFBR1
SCHEMBL6980542 0.81 MMP2 (0.32)

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