SCHEMBL6250972

SCHEMBL6250972

CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(CNS(N)(=O)=O)cc21

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.83
SLC6A2 P23975 19/20 0.83
SLC6A3 Q01959 18/20 0.83

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
SCHEMBL6250969 1.00 SLC6A4 (0.83) SLC6A4SLC6A2SLC6A3
SCHEMBL6250975 1.00 SLC6A4 (0.83) SLC6A4SLC6A2SLC6A3
SCHEMBL6244447 0.91 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6244442 0.91 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6244437 0.91 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6250558 0.90 SLC6A2 (0.98) SLC6A4SLC6A2SLC6A3
SCHEMBL6944429 0.87 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3
SCHEMBL6250495 0.84 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL6250489 0.84 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL13409764 0.84 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3

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-1157002-B1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-08-10 EP disclosed
EP-1157002-A1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2001-11-28 EP disclosed
WO-2000051972-A1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2000-09-08 WO disclosed