SCHEMBL7157252

SCHEMBL7157252

CNN(C)C(=O)C(c1ccccc1)N1CCCc2cc(OC)c(OC)cc2C1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.68
HCRTR2 O43614 14/20 0.68
MTNR1B P49286 5/20 0.50
MTNR1A P48039 1/20 0.49

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
SCHEMBL5209730 0.88 HCRTR1 (0.75) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5212193 0.88 HCRTR1 (0.75) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5212071 0.88 HCRTR1 (0.74) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5208606 0.87 HCRTR1 (0.73) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL7090351 0.85 HCRTR1 (0.61) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5210766 0.84 HCRTR1 (0.74) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5206563 0.84 HCRTR1 (0.79) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5207307 0.83 HCRTR1 (0.78) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5211349 0.83 HCRTR1 (0.76) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5210435 0.83 HCRTR1 (0.76) HCRTR1HCRTR2MTNR1BMTNR1A

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
EP-1347967-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-10-01 EP claimed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO claimed