SCHEMBL6984922

SCHEMBL6984922

CCC[C@@H](C(=O)NN)c1c([C@H](C/C=C/c2ccccc2)C(=O)OC(C)(C)C)cc(C)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.33
PLA2G2A P14555 1/20 0.33
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
SCHEMBL7812198 1.00 CTSC (0.33) CTSCPLA2G2AMAOAMAOBGRIK1
SCHEMBL6942707 0.83 CTSC (0.35) CTSCMAOAMAOBGRIK1GRIK2
SCHEMBL6944740 0.74 CHRNB2 (0.36)
SCHEMBL6946939 0.74 MAOA (0.39) MAOAMAOBGRIK1GRIK2
SCHEMBL7139769 0.72 ANXA2 (0.38) MAOAMAOBGRIK1GRIK2
SCHEMBL7815835 0.69 CTSC (0.36) CTSCGRIK1GRIK2
SCHEMBL6987723 0.69 CTSC (0.36) CTSCGRIK1GRIK2
SCHEMBL6983883 0.69 GRIK1 (0.37) CTSCGRIK1GRIK2
SCHEMBL6220493 0.67 ADAM17 (0.48) CTSCGRIK1GRIK2
SCHEMBL6220496 0.67 ADAM17 (0.48) CTSCGRIK1GRIK2

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