SCHEMBL8154288

SCHEMBL8154288

CCc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)C3N=C(C)SC3c3ccccc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.34
ABHD6 Q9BV23 3/20 0.34
HCRTR2 O43614 3/20 0.32
HCRTR1 O43613 2/20 0.32
ABHD11 Q8NFV4 1/20 0.32
DAGLB Q8NCG7 5/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 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
SCHEMBL8150595 0.95 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL8151105 0.93 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL8138505 0.92 DAGLA (0.35) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL8154720 0.91 DAGLB (0.37) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL8149669 0.87 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1NPC1
SCHEMBL8136051 0.86 DAGLA (0.37) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL8136076 0.85 KDM4E (0.38) DAGLAABHD6HCRTR2HCRTR1DAGLB
SCHEMBL7909447 0.85 DAGLA (0.33) DAGLAABHD6HCRTR2ABHD11MEN1
SCHEMBL8144465 0.84 DAGLA (0.33) DAGLAABHD6HCRTR2ABHD11DAGLB
SCHEMBL8146211 0.83 KDM4E (0.47) NPC1RAB9A

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-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed