SCHEMBL4559459

SCHEMBL4559459

CCN(CCN(CC)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.84
HCRTR2 O43614 20/20 0.84

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
SCHEMBL4561847 0.92 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4561940 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4560617 0.87 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL4559054 0.87 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL4562391 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL4562085 0.83 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL15338611 0.77 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL4561832 0.77 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL9977892 0.76 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL4561085 0.76 HCRTR1 (0.73) 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-2009011775-A1 AMIDOETHYL ALKYLAMINO OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-01-22 WO claimed