SCHEMBL8254625

SCHEMBL8254625

Cc1cc2nc(CCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-c3ccccc3)[nH]c2cc1C

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 16/20 0.80
▸ HCRTR2 O43614 16/20 0.80
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ PRCP P42785 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL4486880 0.89 HCRTR1 (1.00) HCRTR1HCRTR2POLB
SCHEMBL4477094 0.84 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL4486323 0.82 HCRTR1 (0.82) HCRTR1HCRTR2MAPT
SCHEMBL4482621 0.82 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL4481940 0.82 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL4498250 0.82 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4488195 0.81 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL4486211 0.80 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL4480261 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4469637 0.79 HCRTR1 (1.00) HCRTR1HCRTR2

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-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 — — WO disclosed
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