SCHEMBL2364252

SCHEMBL2364252

CCCC(=O)NN1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
NSD2 O96028 1/20 0.43
TTR P02766 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
HTT P42858 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL493880 1.00 TP53 (0.50) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL3879759 0.98 GNAI3 (0.50) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL2364796 0.88 GNAI3 (0.58) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL16405435 0.86 GNAI3 (0.60) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL16010753 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3868277 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3974367 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL28996573 0.83 CA12 (0.46) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL4591725 0.83 HTT (0.47) TP53SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL3871463 0.82 GNAI3 (0.71) GNAI3GNAO1GNAI1CNR2CNR1

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-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed