SCHEMBL6246757

SCHEMBL6246757

CN(C(=O)O)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(Br)c21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.53
SLC6A2 P23975 12/20 0.53
SLC6A3 Q01959 12/20 0.53
QSOX1 O00391 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
SCHEMBL20480797 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6249766 0.85 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6250532 0.85 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6248857 0.85 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6250945 0.85 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL6250960 0.83 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL6246484 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6249655 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL6246001 0.79 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247516 0.79 SLC6A4 (0.51) 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