SCHEMBL13093281

SCHEMBL13093281

CN(c1cc(N2CCc3cc([S+](C)[O-])ccc32)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.76
CYP2C9 P11712 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
SCHEMBL1065716 0.86 GPR119 (1.00) GPR119
SCHEMBL3238881 0.84 GPR119 (0.59) GPR119
SCHEMBL13092708 0.79 GPR119 (0.73) GPR119CYP2C9
SCHEMBL15095239 0.77 GPR119 (1.00) GPR119
SCHEMBL3242125 0.77 GPR119 (0.55) GPR119CYP2C9
SCHEMBL15095238 0.77 GPR119 (0.87) GPR119
SCHEMBL12933440 0.75 GPR119 (0.80) GPR119CYP2C9
SCHEMBL515753 0.75 GPR119 (0.78) GPR119
SCHEMBL15095240 0.75 GPR119 (0.83) GPR119
SCHEMBL15095237 0.75 GPR119 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010119881-A1 INDOLINE COMPOUND 第一三共株式会社 (JP) 2010-10-21 WO disclosed