SCHEMBL6987003

SCHEMBL6987003

CCCC(CC(CC)CC)(C(=O)NN)C(=O)[C@@H]([C@H](C/C=C/c1ccccc1)C(=O)NOCc1ccccc1)N1CN(C)C=N1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL6984130 0.94 HDAC3 (0.31) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6982846 0.83 GHSR (0.33) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6982838 0.80 MMP2 (0.34)
SCHEMBL6981500 0.78 ADAM17 (0.34)
SCHEMBL6987011 0.77 HDAC3 (0.33) GHSRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL6981739 0.69 ADAM17 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7930090 0.68 CTSC (0.37) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7930087 0.68 CTSC (0.37) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7930095 0.68 CTSC (0.37) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7930092 0.68 CTSC (0.37) GHSRHDAC3HDAC4HDAC1HDAC7

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