SCHEMBL2469112

SCHEMBL2469112

Cc1cccc(OC2CCC(Cl)(c3ccc4c(c3)CNCc3nncn3-4)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
Hydrochloric Acid SCHEMBL2472345 0.90
SCHEMBL2474345 0.88
SCHEMBL2474933 0.86 AVPR1A (0.39)
Hydrochloric Acid SCHEMBL2473468 0.86 OGA (0.32)
SCHEMBL2560109 0.85
Hydrochloric Acid SCHEMBL2474918 0.85 SLC6A2 (0.34)
SCHEMBL2474921 0.83
SCHEMBL2472342 0.83 AVPR1A (0.33)
Hydrochloric Acid SCHEMBL2473040 0.83 AADAT (0.39)
SCHEMBL2472708 0.82 CYP11B2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035939-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS F. Hoffmann-La Roche AG (CH) 2016-06-29 EP claimed
WO-2015024819-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO claimed
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP claimed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO claimed
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed