SCHEMBL2472197

SCHEMBL2472197

CC(C)(C)OC(=O)N1Cc2cc(C3(Cl)CCC(Oc4ccc(C(F)(F)F)cc4)CC3)ccc2-n2cnnc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.39
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
RORC P51449 1/20 0.33
TACR1 P25103 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 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
SCHEMBL2474689 0.92 GPR119 (0.39) GPR119HRH3TACR1
SCHEMBL2473876 0.89 GPR119 (0.47) GPR119OXTRAVPR1AHRH3PDE4A
SCHEMBL2336519 0.88 DDB1 (0.35) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2475380 0.87 GPR119 (0.35) GPR119OXTRAVPR1AHRH3PDE4A
SCHEMBL2469674 0.86 PDE4A (0.34) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2336887 0.85 PDE4B (0.36) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2472676 0.85 GPR119 (0.36) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2340272 0.85 DDB1 (0.35) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2337016 0.85 DDB1 (0.35) GPR119OXTRAVPR1APDE4APDE4B
SCHEMBL2469541 0.84 GPR119 (0.34) GPR119OXTRAVPR1APDE4APDE4B

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 8 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-3035939-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015024819-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
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