SCHEMBL6982201

SCHEMBL6982201

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 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
SCHEMBL6983333 0.87 TGFBR1 (0.33) TGFBR1CTSCP2RX3
SCHEMBL6987478 0.86 TGFBR1 (0.31) TGFBR1CTSC
SCHEMBL6984895 0.85 CTSC (0.33) TGFBR1CTSCP2RX3
SCHEMBL6987279 0.82 CTSC (0.32) TGFBR1CTSCP2RX3
SCHEMBL6987789 0.82 CTSC (0.31) TGFBR1CTSC
SCHEMBL6988011 0.81 TGFBR1 (0.31) TGFBR1
SCHEMBL6980509 0.80 TGFBR1 (0.32) TGFBR1
SCHEMBL6988239 0.80 P2RX3 (0.32) TGFBR1P2RX3
SCHEMBL6984051 0.79 TGFBR1 (0.32) TGFBR1
SCHEMBL7808298 0.79 TGFBR1 (0.32) TGFBR1

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