SCHEMBL6984895

SCHEMBL6984895

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.33
TGFBR1 P36897 1/20 0.32
MASP2 O00187 1/20 0.30
P2RX3 P56373 1/20 0.30
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
SCHEMBL6948116 0.85 TGFBR1 (0.32) CTSCTGFBR1P2RX3MGLL
SCHEMBL6982201 0.85 TGFBR1 (0.33) CTSCTGFBR1P2RX3
SCHEMBL6986001 0.84 MASP2 (0.32) CTSCTGFBR1MASP2P2RX3
SCHEMBL6987789 0.84 CTSC (0.31) CTSCTGFBR1
SCHEMBL6988069 0.83 MASP2 (0.32) CTSCTGFBR1MASP2P2RX3
SCHEMBL6983333 0.82 TGFBR1 (0.33) CTSCTGFBR1P2RX3
SCHEMBL6987478 0.81 TGFBR1 (0.31) CTSCTGFBR1
SCHEMBL6982377 0.80 TGFBR1 (0.31) CTSCTGFBR1
SCHEMBL7933428 0.78 P2RX3 (0.33) CTSCTGFBR1P2RX3MGLL
SCHEMBL6987279 0.77 CTSC (0.32) CTSCTGFBR1P2RX3

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 3 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-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