SCHEMBL7439082

SCHEMBL7439082

CCCCN(CC(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.42
ADRB2 P07550 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL3342781 0.86 CNR2 (0.48) CNR2NPC1JAK2RAB9APAX8
SCHEMBL3141234 0.82 MEN1 (0.50) CNR2NPC1RAB9AALDH1A1GAA
SCHEMBL2941860 0.82 NPC1 (0.48) CNR2NPC1JAK2RAB9APAX8
SCHEMBL11670765 0.82 CNR2 (0.45) CNR2NPC1JAK2RAB9APAX8
SCHEMBL13603918 0.82 NPSR1 (0.44) NPC1RAB9AALDH1A1POLBMEN1
SCHEMBL29951287 0.81 ALDH1A1 (0.53) CNR2ALDH1A1GAAKDM4EPOLB
SCHEMBL6326806 0.81 NPC1 (0.53) CNR2NPC1JAK2RAB9APAX8
SCHEMBL4744062 0.80 NPC1 (0.55) CNR2NPC1JAK2RAB9APAX8
SCHEMBL10952007 0.80 NPC1 (0.55) CNR2NPC1JAK2RAB9APAX8
SCHEMBL10956818 0.80 NPC1 (0.55) CNR2NPC1JAK2RAB9APAX8

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-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed