SCHEMBL15085685

SCHEMBL15085685

CN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.65
ROCK1 Q13464 1/20 0.44
DRD2 P14416 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN8A Q9UQD0 2/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL13093277 0.83 GPR119 (0.69) GPR119ROCK1
SCHEMBL1064995 0.83 GPR119 (0.64) GPR119ROCK1DRD2MEN1PKM
SCHEMBL15085684 0.82 GPR119 (0.50) GPR119ROCK1DRD2MEN1PKM
SCHEMBL15085683 0.81 GPR119 (0.49) GPR119ROCK1DRD2MEN1PKM
SCHEMBL1065716 0.79 GPR119 (1.00) GPR119
SCHEMBL12933440 0.79 GPR119 (0.80) GPR119
SCHEMBL1083560 0.74 GPR119 (0.69) GPR119
SCHEMBL288791 0.73 ROCK1 (0.61) GPR119ROCK1
SCHEMBL515122 0.72 GPR119 (0.61) GPR119ROCK1
SCHEMBL515155 0.72 GPR119 (0.69) 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
US-8481731-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed