SCHEMBL41174

SCHEMBL41174

CCCCN(CCCC)C(=O)c1cccc(NCCCN2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
AURKB Q96GD4 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PRKD3 O94806 1/20 0.39
SRC P12931 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 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
SCHEMBL47111 0.82 TLR7 (0.47) ACP1HDAC1HDAC6HRH3TLR8
SCHEMBL10069657 0.79 HRH3 (0.43) ACP1HDAC1HDAC6HRH3TLR8
SCHEMBL12487684 0.74 ALDH1A1 (0.48) KDM4E
SCHEMBL2930807 0.72 ACP1 (0.49) ACP1HDAC1HDAC6HRH3HSD17B10
SCHEMBL46858 0.71 MC4R (0.43)
SCHEMBL8965125 0.71 PHF13 (0.54) ACP1HRH3KDRDRD2HTR2A
SCHEMBL47127 0.71 MC4R (0.59)
SCHEMBL47200 0.71 MC4R (0.41) TLR7
SCHEMBL10070574 0.71 MC4R (0.41)
SCHEMBL10070178 0.70 MC4R (0.46)

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-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed