SCHEMBL4558875

SCHEMBL4558875

CN[C@H](CCOc1ccc(SC)cc1)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.71
ACHE P22303 2/20 0.71
RAB9A P51151 1/20 0.44
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 3/20 0.39
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3873233 1.00 SLC6A4 (0.71) SLC6A4ACHERAB9ABCHENPSR1
SCHEMBL4559399 1.00 SLC6A4 (0.71) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3864519 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3862791 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3868821 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3868973 0.87 ACHE (0.72) SLC6A4ACHERAB9ABCHENPSR1
SCHEMBL3863741 0.87 ACHE (0.72) SLC6A4ACHERAB9AFAAH
SCHEMBL3864804 0.87 ACHE (0.72) SLC6A4ACHERAB9AHRH3
SCHEMBL3867266 0.87 ACHE (0.72) SLC6A4ACHERAB9AHRH3
Hydrochloric Acid SCHEMBL3863685 0.87 ACHE (0.72) SLC6A4ACHERAB9ABCHEFAAH

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-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US claimed