SCHEMBL7091064

SCHEMBL7091064

CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 1.00
SLC6A2 P23975 7/20 0.51
PDE7A Q13946 2/20 0.49
SLC6A3 Q01959 4/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL5833086 0.89 SLC6A4 (0.80) SLC6A4SLC6A2PDE7ASLC6A3
SCHEMBL1645812 0.87 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL5833050 0.86 SLC6A4 (0.76) SLC6A4SLC6A2PDE7ASLC6A3
SCHEMBL1644221 0.82 SLC6A4 (0.69) SLC6A4SLC6A2PDE7ASLC6A3LMNA
SCHEMBL1110747 0.79 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL5832916 0.78 SLC6A4 (0.76) SLC6A4SLC6A2PDE7ASLC6A3LMNA
SCHEMBL1645487 0.78 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL1644437 0.78 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL1644194 0.78 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL1645157 0.78 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003078393-A2 FLUORINATED PHENYL THIOPHENYL DERIVATIVES AND THEIR USE FOR IMAGING SEROTONIN TRANSPORTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-09-25 WO disclosed