SCHEMBL8533879

SCHEMBL8533879

Nc1cc(C(F)(F)F)ccc1Sc1ccccc1CCl

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.70
SLC6A2 P23975 15/20 0.70
SLC6A3 Q01959 9/20 0.70
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL8534418 0.99 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL8530833 0.86 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3LMNAMAPT
Hydrochloric Acid SCHEMBL8533722 0.83 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL8533455 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL8537055 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAPTTDP1
SCHEMBL8880802 0.75 CYP1A2 (0.64) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL11704957 0.75 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL11705924 0.75 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL5250559 0.74 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL7821948 0.73 KDM4E (0.66) SLC6A4SLC6A2SLC6A3LMNAMAPT

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-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