Sugi Predict

Sugi Predict / Compounds / SCHEMBL462919

SCHEMBL462919

SCHEMBL462919

CCC(O)(Cc1cc(S(=O)(=O)O)ccc1C)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ MCHR1 Q99705 3/20 0.34
▸ EGFR P00533 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ GPR183 P32249 1/20 0.31

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
SCHEMBL12064750 0.85 MCHR1 (0.36) GPR119KCNH2MCHR1EGFRKCNE1
SCHEMBL470692 0.85 MCHR1 (0.36) GPR119KCNH2MCHR1EGFRKCNE1
SCHEMBL470656 0.80 ALOX5AP (0.34) GPR119KCNH2EGFRKCNE1DPP4
SCHEMBL470695 0.79 DPP4 (0.39) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL461833 0.79 MCHR1 (0.36) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL470671 0.78 MCHR1 (0.37) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL470589 0.77 DPP4 (0.42) KCNH2DPP4DPP8DPP9
SCHEMBL470603 0.77 MCHR1 (0.36) KCNH2MCHR1DPP4DPP8DPP9
SCHEMBL12064992 0.76 MCHR1 (0.35) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL12064847 0.76 MCHR1 (0.35) GPR119KCNH2MCHR1DPP4DPP8

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 — — WO disclosed