SCHEMBL7806468

SCHEMBL7806468

CCN(CC)Cc1ccc(C(=O)Nc2cc(NCCCC3CCCCC3)ccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDLR P01130 11/20 0.58
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
KIT P10721 1/20 0.43
BCHE P06276 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL6488218 0.88 LDLR (0.75) LDLRNPC1
SCHEMBL6477342 0.88 LDLR (0.71) LDLRMAPK14NPC1
SCHEMBL6486131 0.86 LDLR (0.78) LDLRNPC1
SCHEMBL6786471 0.82 LDLR (0.74) LDLRMAPK11MAPK14KITHDAC6
SCHEMBL6477653 0.76 BCHE (0.53) MAPK11MAPK14BCHENPC1HDAC8
SCHEMBL6476046 0.74 BCHE (0.49) BCHENPC1
SCHEMBL6781245 0.73 LDLR (1.00) LDLRMAPK11MAPK14NPC1HDAC6
SCHEMBL6778422 0.73 LDLR (1.00) LDLRNPC1
SCHEMBL6484244 0.73 NPC1 (0.50) MAPK11MAPK14BCHENPC1HDAC8
SCHEMBL6483995 0.73 MAPK14 (0.60) MAPK14BCHENPC1

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-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed