SCHEMBL7827207

SCHEMBL7827207

c1ccc(CC2CNCCN2c2cccs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.66
▸ SLC6A3 Q01959 12/20 0.66
▸ SLC6A2 P23975 11/20 0.66
▸ CYP2D6 P10635 1/20 0.49
▸ MITF O75030 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ DPP4 P27487 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL2951055 0.80 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL3015463 0.78 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2941780 0.74 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL6658178 0.74 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL588544 0.74 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL588656 0.74 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL5543652 0.74 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2952322 0.73 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588156 0.73 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588157 0.73 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF

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
EP-0732332-B1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation AVENTIS PHARMA INC (US) 2001-12-19 — — EP disclosed
EP-0732332-A1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation HOECHST MARION ROUSSEL, INC. (US) 1996-09-18 — — EP disclosed
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