SCHEMBL7402136

SCHEMBL7402136

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)c(OCC3CC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
CSF1R P07333 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CHEK2 O96017 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7400873 0.88 GPR119 (0.51) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7355186 0.87 GPR119 (0.54) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7396283 0.86 GPR119 (0.51) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7403008 0.86 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL23301265 0.85 GPR119 (0.58) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7479357 0.84 PARP15 (0.53) GPR119CSF1RCHEK2KDM4EMEN1
SCHEMBL3165435 0.83 PDE4B (0.54) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL19405910 0.83 GPR119 (0.53) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL3159730 0.83 PDE4B (0.50) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7406884 0.83 GPR119 (0.56) GPR119PDE4APDE4BPDE4CPDE4D

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
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US 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