SCHEMBL27928874

SCHEMBL27928874

COc1cccc(OC)c1C1CC(C)C(C=O)N1Cc1cc(OC(F)F)ccn1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.68
HCRTR2 O43614 20/20 0.68

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
SCHEMBL27928816 0.86 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL27928800 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL27911147 0.84 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL27911310 0.83 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL27911102 0.83 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL15238454 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27911216 0.81 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL27928976 0.80 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4560676 0.79 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL27911036 0.78 HCRTR1 (0.68) 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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed