SCHEMBL8533455

SCHEMBL8533455

CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 1.00
SLC6A2 P23975 18/20 1.00
SLC6A3 Q01959 10/20 1.00
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL8535028 0.87 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL8534425 0.85 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL8534422 0.85 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL8530914 0.84 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL9544114 0.83 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL8530833 0.82 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL8533879 0.82 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL20574691 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1643432 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL8534418 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859757-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS Farmak A.S. (CZ) 1998-08-26 EP claimed
WO-1997017325-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS FARMAK A.S. (CZ) 1997-05-15 WO claimed
EP-0859757-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS Farmak A.S. (CZ) 1998-08-26 EP disclosed
WO-1997017325-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS FARMAK A.S. (CZ) 1997-05-15 WO disclosed