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SCHEMBL4795378

SCHEMBL4795378

CCC(=O)Nc1ccc2c(c1)CN(C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C2.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(NC(=O)Nc3cccc(Cc4ccccc4)c3)cc2C1.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(NC(=O)Nc3ccccc3)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 17/20 0.71
▸ HDAC1 Q13547 3/20 0.63
▸ HDAC3 O15379 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ MC4R P32245 1/20 0.39
▸ NAMPT P43490 2/20 0.39

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
SCHEMBL4795375 1.00 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795061 0.94 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795056 0.94 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794482 0.88 HDAC8 (0.77) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794480 0.88 HDAC8 (0.77) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795155 0.87 HDAC8 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795148 0.87 HDAC8 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795356 0.84 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795352 0.84 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4902735 0.82 HDAC8 (0.77) HDAC8HDAC1HDAC3HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 — — EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 — — WO claimed