SCHEMBL22761898

SCHEMBL22761898

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.49
▸ FEN1 P39748 1/20 0.49
▸ HCRTR1 O43613 6/20 0.49
▸ LIPE Q05469 8/20 0.48
▸ SCN9A Q15858 1/20 0.47
▸ BCHE P06276 1/20 0.45

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
SCHEMBL15229644 0.84 HCRTR1 (0.44) HCRTR1LIPESCN9A
SCHEMBL4319472 0.83 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL4319486 0.83 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL4320534 0.83 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL5149728 0.82 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL10121579 0.82 HCRTR1 (0.42) HCRTR1LIPESCN9A
SCHEMBL22761842 0.82 HCRTR1 (0.55) HCRTR1
SCHEMBL21606867 0.81 LIPE (0.62) ALOX5APFEN1LIPEBCHE
SCHEMBL29913011 0.81 LIPE (0.62) ALOX5APFEN1LIPEBCHE
SCHEMBL4310636 0.81 ALOX5AP (0.47) ALOX5APFEN1SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247447-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 — — WO disclosed
WO-2020247445-A1 IMIDAZOLO DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 — — WO disclosed
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