SCHEMBL7895276

SCHEMBL7895276

Nc1cccc(CC2c3cc(OCCNS(=O)(=O)CC4CC4)ccc3CCC2N2CCCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.81
KCNH2 Q12809 3/20 0.81

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
SCHEMBL7896243 0.91 SLC6A9 (0.97) SLC6A9KCNH2
SCHEMBL7896787 0.91 SLC6A9 (0.81) SLC6A9KCNH2
SCHEMBL7892494 0.91 SLC6A9 (0.81) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3105766 0.90 SLC6A9 (0.95) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3104037 0.90 SLC6A9 (0.80) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3094794 0.90 SLC6A9 (0.80) SLC6A9KCNH2
SCHEMBL3100564 0.90 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL3719981 0.89 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL3089136 0.89 SLC6A9 (0.84) SLC6A9KCNH2
SCHEMBL7893199 0.89 SLC6A9 (0.84) SLC6A9KCNH2

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-2010092180-A1 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO. KG (DE) 2010-08-19 WO disclosed