SCHEMBL6245147

SCHEMBL6245147

CN(C(=O)O)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(=O)NCCO)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.52
SLC6A2 P23975 12/20 0.52
SLC6A3 Q01959 12/20 0.52
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
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
SCHEMBL6249261 0.87 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6246001 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3366301 0.83 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3POLB
SCHEMBL6247295 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6248808 0.83 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3QSOX1
Hydrochloric Acid SCHEMBL6247716 0.82 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL6245753 0.82 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL20480797 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1QSOX1
SCHEMBL3364462 0.77 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247346 0.77 SLC6A4 (0.47) 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