SCHEMBL3343638

SCHEMBL3343638

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.64
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 1/20 0.47
TOP2A P11388 1/20 0.47

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
SCHEMBL30102016 0.91 GPR119 (0.64) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL1372747 0.91 GPR119 (0.64) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL5525265 0.90 GPR119 (0.63) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7401143 0.89 GPR119 (0.62) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL2776401 0.88 GPR119 (0.62) GPR119HRH3
SCHEMBL17559447 0.87 HRH3 (0.50) GPR119HRH3
SCHEMBL3346693 0.86 GPR119 (0.62) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL13993542 0.86 GPR119 (0.67) GPR119KMT2A
SCHEMBL31748202 0.86 GPR119 (0.67) GPR119
SCHEMBL3180265 0.85 GPR119 (0.66) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed