SCHEMBL13619639

SCHEMBL13619639

COC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(N)cc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR4 Q13639 3/20 0.39
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL12584911 0.92 DRD2 (0.40) DRD2DRD4HTR4USP30NPC1
SCHEMBL12584912 0.91 DRD2 (0.39) DRD2DRD4HTR4USP30NPC1
SCHEMBL12584423 0.91 DRD2 (0.41) DRD2DRD4HTR4USP30NPC1
SCHEMBL12584417 0.90 DRD2 (0.41) DRD2DRD4HTR4USP30NPC1
SCHEMBL13619452 0.88 DRD2 (0.37) DRD2DRD4HTR4USP30NPC1
SCHEMBL12585111 0.88 USP30 (0.40) DRD2DRD4HTR4USP30NPC1
SCHEMBL986579 0.84 HDAC3 (0.39) DRD2DRD4USP30NPC1HDAC3
SCHEMBL12584885 0.82 HDAC3 (0.37) DRD2DRD4HTR4USP30HDAC3
SCHEMBL12584999 0.82 HDAC3 (0.37) DRD2DRD4HTR4USP30HDAC3
SCHEMBL987915 0.82 HDAC3 (0.38) DRD2DRD4HTR4USP30HDAC3

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed