SCHEMBL9541406

SCHEMBL9541406

CN(C)Cc1cc(Cl)ccc1Sc1ccccc1CO

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.92
▸ SLC6A2 P23975 10/20 0.68
▸ SLC6A3 Q01959 7/20 0.68
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ITGB2 P05107 1/20 0.51
▸ ICAM1 P05362 1/20 0.51
▸ ITGAL P20701 1/20 0.51

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
Hydrochloric Acid SCHEMBL9541705 0.99 SLC6A4 (0.89) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
SCHEMBL5732433 0.96 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL9464818 0.94 SLC6A4 (0.97) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
SCHEMBL9541450 0.92 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL9541441 0.90 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
SCHEMBL4437763 0.88 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3ALDH1A1ITGB2
SCHEMBL11632956 0.86 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
SCHEMBL9541726 0.85 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL11634491 0.84 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL9541354 0.84 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993012080-A1 SUBSTITUTED DIPHENYLSULFIDES AS SEROTONIN UPTAKE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 — — WO claimed
WO-1993012080-A1 SUBSTITUTED DIPHENYLSULFIDES AS SEROTONIN UPTAKE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 — — WO disclosed
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