SCHEMBL6594947

SCHEMBL6594947

CC[C@@H]1CNCC[C@@H]1c1cccc2cc([Si](C)(C)C)sc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6594935 1.00 SLC6A4 (0.30) SLC6A4SLC6A2SLC6A3
SCHEMBL6594939 1.00 SLC6A4 (0.30) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6596983 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6596988 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6596986 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6332876 0.63 GRK2 (0.36) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6332869 0.63 GRK2 (0.36) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6332872 0.63 GRK2 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL13894692 0.62 HTR2C (0.55) SLC6A4
SCHEMBL1861451 0.61 PSMB8 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed