SCHEMBL15085683

SCHEMBL15085683

CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(C(N)C2CCN(Cc3ccccc3)CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.49
ROCK1 Q13464 1/20 0.46
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

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
SCHEMBL1064995 0.82 GPR119 (0.64) GPR119ROCK1DRD2MEN1PKM
SCHEMBL15085685 0.81 GPR119 (0.65) GPR119ROCK1DRD2MEN1PKM
SCHEMBL15085684 0.81 GPR119 (0.50) GPR119ROCK1DRD2MEN1PKM
SCHEMBL1083560 0.73 GPR119 (0.69) GPR119
SCHEMBL288791 0.72 ROCK1 (0.61) GPR119ROCK1
SCHEMBL2718164 0.71 ROCK1 (0.62) GPR119ROCK1
SCHEMBL2718168 0.70 ROCK1 (0.61) GPR119ROCK1
SCHEMBL13092781 0.68 GPR119 (0.72) GPR119
SCHEMBL3231545 0.68 GPR119 (0.69) GPR119
SCHEMBL3241574 0.68 GPR119 (0.74) 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