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Sugi Predict / Compounds / SCHEMBL27852838

SCHEMBL27852838

SCHEMBL27852838

CC(C)c1noc(C2CCN(c3ncnc(N(c4ccc(S(C)(=O)=O)cc4F)N(c4ccc(S(C)(=O)=O)cc4F)c4ncnc(N5CCC(c6cn(C(C)C)cn6)CC5)c4[N+](=O)[O-])c3[N+](=O)[O-])CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 20/20 0.62
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL114213 0.77 GPR119 (1.00) GPR119CYP3A4CYP2C19
SCHEMBL29444725 0.77 GPR119 (1.00) GPR119CYP3A4CYP2C19
SCHEMBL4557583 0.77 GPR119 (0.72) GPR119CYP3A4CYP2C19
SCHEMBL27834742 0.76 GPR119 (0.68) GPR119
SCHEMBL4793285 0.74 GPR119 (0.68) GPR119CYP3A4CYP2C19
SCHEMBL514572 0.73 GPR119 (0.66) GPR119CYP3A4CYP2C19
SCHEMBL2734562 0.73 GPR119 (0.89) GPR119CYP3A4CYP2C19
SCHEMBL388948 0.72 GPR119 (1.00) GPR119
SCHEMBL15690371 0.72 GPR119 (0.64) GPR119CYP3A4CYP2C19
SCHEMBL1673975 0.71 GPR119 (1.00) GPR119CYP3A4CYP2C19

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
CN-102016593-A Methods of using a G protein-coupled receptor to identify peptide Y (PYY) secretagogues and compounds useful in the treatment of conditions modulated by PYY ARENA PHARM INC 2011-04-13 — — CN disclosed
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