SCHEMBL8074791

SCHEMBL8074791

CC1=NC(C(=O)N2CCCC[C@H]2Cc2cn3cnc(C)c(C)c3n2)C(c2ccccc2)S1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.33
ABHD6 Q9BV23 8/20 0.33
HCRTR2 O43614 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ABHD11 Q8NFV4 1/20 0.31
HCRTR1 O43613 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
DAGLB Q8NCG7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8077925 0.92 DAGLA (0.32) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8079946 0.91 DAGLB (0.34) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8144465 0.87 DAGLA (0.33) DAGLAABHD6HCRTR2PDCD1CD274
SCHEMBL7909447 0.87 DAGLA (0.33) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8146211 0.85 KDM4E (0.47) HPGDNPC1RAB9AKDM4EHSD17B10
SCHEMBL8138501 0.85 KDM4E (0.38) DAGLAABHD6HCRTR2HPGDNPC1
SCHEMBL8136076 0.84 KDM4E (0.38) DAGLAABHD6HCRTR2HPGDHCRTR1
SCHEMBL8145765 0.84 KDM4E (0.40) DAGLAABHD6HCRTR2HPGDABHD11
SCHEMBL8138505 0.83 DAGLA (0.35) DAGLAABHD6HCRTR2PDCD1CD274
SCHEMBL8152792 0.83 DAGLA (0.38) DAGLAHPGDDAGLBKDM4EHSD17B10

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-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed