SCHEMBL8149669

SCHEMBL8149669

CC1=NC(C(=O)N2CCCC[C@H]2Cc2cn3cc(F)cc(F)c3n2)C(c2ccc(F)cc2)S1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.34
ABHD6 Q9BV23 3/20 0.34
HCRTR2 O43614 6/20 0.33
HCRTR1 O43613 5/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 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
SCHEMBL8150570 0.90 KDM4E (0.37) DAGLAABHD6HCRTR2HCRTR1ALDH1A1
SCHEMBL8151687 0.88 DAGLA (0.33) DAGLAABHD6HCRTR2HCRTR1ALDH1A1
SCHEMBL8138505 0.88 DAGLA (0.35) DAGLAABHD6HCRTR2HCRTR1ALDH1A1
SCHEMBL8154288 0.87 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1NPC1
SCHEMBL8144523 0.87 KDM4E (0.45) DAGLAABHD6ALDH1A1NPC1RAB9A
SCHEMBL8150595 0.86 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1
SCHEMBL8154720 0.86 DAGLB (0.37) DAGLAABHD6HCRTR2HCRTR1
SCHEMBL8151105 0.84 DAGLA (0.34) DAGLAABHD6HCRTR2HCRTR1NPC1
SCHEMBL8136076 0.84 KDM4E (0.38) DAGLAABHD6HCRTR2HCRTR1ALDH1A1
SCHEMBL8142375 0.84 KDM4E (0.35) DAGLAABHD6HCRTR2HCRTR1ALDH1A1

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