SCHEMBL13093277

SCHEMBL13093277

CN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.69
ROCK1 Q13464 1/20 0.49

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
SCHEMBL514429 0.87 GPR119 (0.72) GPR119ROCK1
SCHEMBL15085685 0.83 GPR119 (0.65) GPR119ROCK1
SCHEMBL12933440 0.82 GPR119 (0.80) GPR119
SCHEMBL1065716 0.82 GPR119 (1.00) GPR119
SCHEMBL1066531 0.81 GPR119 (0.68) GPR119ROCK1
SCHEMBL515590 0.80 GPR119 (0.70) GPR119ROCK1
Hydrochloric Acid SCHEMBL3244146 0.79 GPR119 (0.69) GPR119ROCK1
SCHEMBL2718164 0.76 ROCK1 (0.62) GPR119ROCK1
SCHEMBL2718168 0.75 ROCK1 (0.61) GPR119ROCK1
SCHEMBL288791 0.75 ROCK1 (0.61) GPR119ROCK1

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