SCHEMBL6246770

SCHEMBL6246770

CN(C(=O)OC(C)(C)C)C1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(C(=O)O)cc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.58
SLC6A2 P23975 12/20 0.55
SLC6A3 Q01959 12/20 0.55
QSOX1 O00391 1/20 0.42

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
SCHEMBL6246771 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3363477 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246531 0.96 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246529 0.96 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246527 0.96 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247845 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3366092 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3366088 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL7736649 0.90 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6250980 0.88 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3QSOX1

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
EP-1157002-B1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-08-10 EP disclosed