SCHEMBL7898258

SCHEMBL7898258

C=S(=O)(CCC)NCCCc1ccc2c(c1)C(Cc1ccccc1Cl)C(N)CC2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.49
KCNH2 Q12809 2/20 0.34

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
SCHEMBL13097443 0.92 SLC6A9 (0.58) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3098602 0.92 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL13097445 0.84 SLC6A9 (0.57) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3093067 0.84 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL15324064 0.84 SLC6A9 (0.47) SLC6A9
SCHEMBL13097478 0.83 SLC6A9 (0.44) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3105938 0.83 SLC6A9 (0.47) SLC6A9
SCHEMBL15324062 0.81 SLC6A9 (0.46) SLC6A9
SCHEMBL7896794 0.81 SLC6A9 (0.53) SLC6A9KCNH2
SCHEMBL7885727 0.81 SLC6A9 (0.61) 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