SCHEMBL7909447

SCHEMBL7909447

CC1=NC(C(=O)N2CCCC[C@H]2Cc2cn3cc(C)nc(C)c3n2)C(c2ccccc2)S1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.33
ABHD6 Q9BV23 8/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ABHD11 Q8NFV4 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR2 O43614 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8144465 0.87 DAGLA (0.33) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8074791 0.87 DAGLA (0.33) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8145765 0.87 KDM4E (0.40) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8146211 0.87 KDM4E (0.47) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL8138505 0.86 DAGLA (0.35) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8138501 0.86 KDM4E (0.38) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8077925 0.86 DAGLA (0.32) DAGLAABHD6HPGDABHD11TRPC3
SCHEMBL8136076 0.85 KDM4E (0.38) DAGLAABHD6KDM4EHPGDHSD17B10
SCHEMBL8154288 0.85 DAGLA (0.34) DAGLAABHD6ABHD11NPC1RAB9A
SCHEMBL8150595 0.84 DAGLA (0.34) DAGLAABHD6HCRTR2

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-2010060470-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed