SCHEMBL13359137

SCHEMBL13359137

CS(=O)(=O)c1ccc(N2CCC(=NOC3CCN(C#N)CC3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.45
KCNH2 Q12809 6/20 0.43
AOC3 Q16853 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL2181557 0.85 SLC6A9 (0.45) SLC6A9KCNH2GPR119
SCHEMBL2184142 0.84 SLC6A9 (0.49) SLC6A9KCNH2GPR119
SCHEMBL2184722 0.82 SLC6A9 (0.54) SLC6A9GPR119
SCHEMBL2183244 0.81 GPR119 (0.59) GPR119
SCHEMBL2183152 0.81 GPR119 (0.59) KCNH2GPR119
SCHEMBL2184347 0.81 GPR119 (0.48) SLC6A9KCNH2AOC3GPR119
SCHEMBL2182314 0.81 GPR119 (0.49) SLC6A9GPR119
SCHEMBL2181751 0.80 GPR119 (0.49) SLC6A9KCNH2AOC3GPR119
SCHEMBL2181458 0.78 SLC6A9 (0.41) SLC6A9KCNH2GPR119
SCHEMBL2183518 0.78 KDM4E (0.45) SLC6A9KCNH2AOC3GPR119

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed