SCHEMBL4973673

SCHEMBL4973673

CC(C)(C)N1CCC[C@@H]([C@@H](OCCN)c2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.47
CYP3A4 P08684 3/20 0.43
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 7/20 0.36
OPRD1 P41143 7/20 0.36
OPRK1 P41145 7/20 0.36
OPRL1 P41146 7/20 0.36

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
SCHEMBL3968254 1.00 REN (0.47) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4971315 0.91 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4972006 0.88 REN (0.41) RENCYP3A4
SCHEMBL4974117 0.87 SLC6A2 (0.40) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4974711 0.84 REN (0.43) RENCYP3A4OPRM1OPRD1OPRK1
SCHEMBL4972582 0.84 REN (0.49) RENCYP3A4
SCHEMBL3965440 0.83 REN (0.62) RENCYP3A4
SCHEMBL4970054 0.82 REN (0.36) REN
SCHEMBL968756 0.82 REN (0.54) RENCYP3A4
SCHEMBL968755 0.82 REN (0.54) RENCYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed