SCHEMBL7893258

SCHEMBL7893258

C=S(=O)(CC1CC1)NCCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.47
KCNH2 Q12809 2/20 0.38

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
SCHEMBL13097441 0.92 SLC6A9 (0.55) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3103546 0.91 SLC6A9 (0.55) SLC6A9KCNH2
SCHEMBL3106127 0.84 SLC6A9 (0.56) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3105776 0.84 SLC6A9 (0.55) SLC6A9KCNH2
SCHEMBL7896818 0.83 SLC6A9 (0.41) SLC6A9KCNH2
SCHEMBL7887182 0.83 SLC6A9 (0.56) SLC6A9KCNH2
Hydrochloric Acid SCHEMBL3108039 0.82 SLC6A9 (0.56) SLC6A9KCNH2
SCHEMBL13097480 0.82 SLC6A9 (0.41) SLC6A9
SCHEMBL7893930 0.82 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL7887141 0.82 SLC6A9 (0.60) 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