SCHEMBL2473876

SCHEMBL2473876

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.47
ALK Q9UM73 1/20 0.41
HRH3 Q9Y5N1 2/20 0.34
FPR2 P25090 1/20 0.33
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL2472197 0.89 GPR119 (0.39) GPR119HRH3OXTRAVPR1ADDB1
SCHEMBL2475380 0.86 GPR119 (0.35) GPR119ALKHRH3OXTRAVPR1A
SCHEMBL2552066 0.85 GPR119 (0.38) GPR119ALKHRH3OXTRAVPR1A
SCHEMBL2469674 0.85 PDE4A (0.34) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2336887 0.85 PDE4B (0.36) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2474689 0.84 GPR119 (0.39) GPR119HRH3
SCHEMBL2337016 0.84 DDB1 (0.35) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2336519 0.84 DDB1 (0.35) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2340272 0.84 DDB1 (0.35) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2469541 0.84 GPR119 (0.34) GPR119OXTRAVPR1ADDB1CRBN

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 4 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 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