SCHEMBL6806591

SCHEMBL6806591

NC(=O)c1cccc2nc(-c3cccnc3NCCCN3CCC(c4ccccc4)CC3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.42
DRD2 P14416 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR7 P34969 2/20 0.42
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
SRC P12931 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 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
SCHEMBL6806656 0.95 CARM1 (0.42) MCHR1DRD2HTR1AHTR2ASLC6A4
SCHEMBL6807423 0.88 PIM1 (0.45) DRD2PARP1PRKD3PIM1SRC
SCHEMBL6806588 0.88 AURKB (0.55) PARP1PARP2PRKD3PIM1SRC
SCHEMBL6811032 0.88 PIM1 (0.45) DRD2PARP1PRKD3PIM1SRC
SCHEMBL6805548 0.88 PIM1 (0.45) DRD2PARP1PRKD3PIM1SRC
SCHEMBL6810078 0.87 DRD2 (0.45) DRD2PARP1PRKD3PIM1SRC
SCHEMBL6805777 0.87 PRKD3 (0.53) DRD2PRKD3PIM1SRCFLT4
SCHEMBL6803660 0.87 PIM1 (0.46) DRD2PRKD3PIM1SRCFLT4
SCHEMBL6806647 0.83 PIM1 (0.55) PARP1PARP2PRKD3PIM1SRC
SCHEMBL6805715 0.83 PIM1 (0.51) PARP1PRKD3PIM1SRCFLT4

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed