SCHEMBL6246762

SCHEMBL6246762

CNC(=O)CCc1ccc2c(c1)[C@H](c1ccc(Cl)c(Cl)c1)CC[C@@H]2N(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.51
SLC6A2 P23975 13/20 0.51
SLC6A3 Q01959 13/20 0.51
QSOX1 O00391 1/20 0.44

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
SCHEMBL6247838 0.89 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247516 0.84 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3QSOX1
Hydrochloric Acid SCHEMBL6248618 0.82 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3
SCHEMBL6249261 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3364462 0.81 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL3362492 0.81 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3QSOX1
Hydrochloric Acid SCHEMBL6250584 0.81 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6250587 0.81 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6250581 0.81 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL6248601 0.79 SLC6A4 (0.46) 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