SCHEMBL6960210

SCHEMBL6960210

CC(C)(C)OC(=O)ON1C2CCC1C(O)C(c1ccc(Br)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
PRCP P42785 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL6957772 0.89 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL6958295 0.87 KDM4E (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL6041887 0.73 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL6041777 0.73 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL6954303 0.72 MEN1 (0.38) SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL6952802 0.71 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL29691862 0.68 RORC (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL29691792 0.67 RORC (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL440565 0.67 SLC6A4 (0.45) SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL15314508 0.67 SLC6A4 (0.45) SLC6A3SLC6A2SLC6A4KDM1A

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed