SCHEMBL8077925

SCHEMBL8077925

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.32
ABHD6 Q9BV23 8/20 0.32
HCRTR2 O43614 2/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
SMO Q99835 1/20 0.31
DAGLB Q8NCG7 3/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HCRTR1 O43613 1/20 0.31
ABHD11 Q8NFV4 1/20 0.31
TRPC3 Q13507 1/20 0.30
TRPC6 Q9Y210 1/20 0.30

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
SCHEMBL8074791 0.92 DAGLA (0.33) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8079946 0.86 DAGLB (0.34) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8145765 0.86 KDM4E (0.40) DAGLAABHD6HCRTR2SMOHPGD
SCHEMBL7909447 0.86 DAGLA (0.33) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8146211 0.84 KDM4E (0.47) NPC1HPGDRAB9A
SCHEMBL8138501 0.83 KDM4E (0.38) DAGLAABHD6HCRTR2NPC1HPGD
SCHEMBL8144465 0.83 DAGLA (0.33) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8136076 0.83 KDM4E (0.38) DAGLAABHD6HCRTR2DAGLBHPGD
SCHEMBL7935984 0.83 DAGLA (0.33) DAGLAABHD6HCRTR2PRMT5WDR77
SCHEMBL8138505 0.82 DAGLA (0.35) DAGLAABHD6HCRTR2PRMT5WDR77

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