SCHEMBL2777576

SCHEMBL2777576

COC(=O)c1cc(F)ccc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 6/20 0.43
EPHX2 P34913 1/20 0.41
RBP4 P02753 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL29629559 0.87 PDE5A (0.44) GPR6EPHX2PDE4BPDE4APDE4C
SCHEMBL24468016 0.87 PDE5A (0.44) GPR6EPHX2PDE4BPDE4APDE4C
SCHEMBL3283342 0.85 MAPT (0.45) EPHX2HRH1CCR3
SCHEMBL2775449 0.85 GPR119 (0.55) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL2776331 0.82 DPP4 (0.46) GPR6PDE4B
Hydrochloric Acid SCHEMBL2776335 0.82 DPP4 (0.46) GPR6PDE4B
Hydrochloric Acid SCHEMBL2779123 0.80 BCL9 (0.43) GPR6
SCHEMBL27623158 0.80 PKM (0.47)
SCHEMBL23365170 0.80 HRH1 (0.48) EPHX2HRH1CCR3
SCHEMBL4682397 0.80 EPHX2 (0.46) EPHX2RBP4HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed