SCHEMBL6988069

SCHEMBL6988069

C[C@@H](N)C(=O)C(C)(C[C@@](C)(CC1CCC1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)C(=O)NN

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.32
TGFBR1 P36897 1/20 0.31
CTSC P53634 1/20 0.31
P2RX3 P56373 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
SCHEMBL6986001 0.99 MASP2 (0.32) MASP2TGFBR1CTSCP2RX3
SCHEMBL6977404 0.87 MASP2 (0.36) MASP2CTSC
SCHEMBL6984895 0.83 CTSC (0.33) MASP2TGFBR1CTSCP2RX3
SCHEMBL6986114 0.79 ALDH1A1 (0.31)
SCHEMBL6983563 0.79 ALDH1A1 (0.33) MASP2CTSC
SCHEMBL7937124 0.78 P2RX3 (0.32) TGFBR1P2RX3
SCHEMBL6948116 0.76 TGFBR1 (0.32) TGFBR1CTSCP2RX3
SCHEMBL7928806 0.75 P2RX3 (0.34) MASP2TGFBR1CTSCP2RX3
SCHEMBL6944685 0.75 ADAM17 (0.34) MASP2TGFBR1CTSCP2RX3
SCHEMBL7930219 0.75 TGFBR1 (0.31) MASP2TGFBR1CTSCP2RX3

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