SCHEMBL8150602

SCHEMBL8150602

CC1=NC(C(=O)N2CCCC[C@H]2Cc2nc3c(F)cccn3c2C)C(c2ccc(F)cc2)S1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.35
ABHD6 Q9BV23 5/20 0.35
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8142373 0.94 DAGLA (0.34) DAGLAABHD6HCRTR1HCRTR2
SCHEMBL8150570 0.84 KDM4E (0.37) DAGLAABHD6HCRTR1HCRTR2ALDH1A1
SCHEMBL8154568 0.82 DAGLA (0.34) DAGLAABHD6HCRTR1HCRTR2ALDH1A1
SCHEMBL8144523 0.80 KDM4E (0.45) DAGLAABHD6ALDH1A1
SCHEMBL4163254 0.79 DPP4 (0.39) DAGLAABHD6HCRTR1HCRTR2
SCHEMBL8144530 0.79 THRB (0.33) DAGLAABHD6ALDH1A1
SCHEMBL8136076 0.79 KDM4E (0.38) DAGLAABHD6HCRTR1HCRTR2ALDH1A1
SCHEMBL8142375 0.77 KDM4E (0.35) DAGLAABHD6HCRTR1HCRTR2ALDH1A1
SCHEMBL8149669 0.77 DAGLA (0.34) DAGLAABHD6HCRTR1HCRTR2ALDH1A1
SCHEMBL8154618 0.76 DAGLA (0.36) DAGLAABHD6HCRTR1HCRTR2

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