SCHEMBL5142115

SCHEMBL5142115

CC(O)CCCC1(C#N)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27257058 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25862811 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2154404 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3530585 0.73 MEN1 (0.34) ALDH1A1
SCHEMBL338634 0.73 HSD11B1 (0.37) HSD11B1HSD11B2
SCHEMBL7597190 0.72 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL4818284 0.72 MEN1 (0.36) ALDH1A1
SCHEMBL10712719 0.70
SCHEMBL11373490 0.70 NPC1 (0.39) ALDH1A1
SCHEMBL1170206 0.69 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed