SCHEMBL7698185

SCHEMBL7698185

[CH2]c1cccc(C(=O)NN2CCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.42
AKR1C3 P42330 2/20 0.39
MTOR P42345 1/20 0.39
CNR2 P34972 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
SCHEMBL7698519 0.97 HTT (0.63) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL4612423 0.83 HTT (0.77) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL7697402 0.81 HTT (0.58) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL6946370 0.77 HTT (0.68) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL279859 0.77 HTT (0.63) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL2399935 0.75 HTT (0.96) HTTHDAC8HDAC6CYP2C9CYP2C19
SCHEMBL4041565 0.75 HTT (0.59) HTTHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL1196393 0.75 SMN1; SMN2 (0.63) HTTSMN1; SMN2LMNAPOLB
SCHEMBL7375838 0.74 LMNA (0.38) HDAC8HDAC6CYP2D6CYP2C9CYP2C19
N-Piperidinobenzamide SCHEMBL696161 0.74 HTT (1.00) HTTCYP2C9SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed