SCHEMBL15085684

SCHEMBL15085684

CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(CNC2CCN(Cc3ccccc3)CC2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ROCK1 Q13464 1/20 0.44
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.43

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 0.88 GPR119 (0.64) GPR119KMT2AMEN1PKMSMN1; SMN2
SCHEMBL15085685 0.82 GPR119 (0.65) GPR119KMT2AMEN1PKMSMN1; SMN2
SCHEMBL15085683 0.81 GPR119 (0.49) GPR119KMT2AMEN1PKMSMN1; SMN2
SCHEMBL1065715 0.81 GPR119 (0.77) GPR119
SCHEMBL15085690 0.81 GPR119 (0.70) GPR119
SCHEMBL1083560 0.74 GPR119 (0.69) GPR119
SCHEMBL288791 0.73 ROCK1 (0.61) GPR119ROCK1
SCHEMBL515793 0.72 GPR119 (0.78) GPR119ROCK1
SCHEMBL1066531 0.70 GPR119 (0.68) GPR119ROCK1
SCHEMBL13092781 0.69 GPR119 (0.72) 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