SCHEMBL13955035

SCHEMBL13955035

CC(CC=O)CN(C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 9/20 0.43
ADH1C P00326 6/20 0.43
ADH1B P00325 1/20 0.43
PIK3CD O00329 1/20 0.38
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ADH4 P08319 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7397010 0.83 ADH1A (0.41) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL14098310 0.77 PIK3CD (0.42) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL29957190 0.74 ADH1A (0.54) ADH1AADH1CADH1BHRH4HRH3
SCHEMBL3938593 0.74 ADH1A (0.54) ADH1AADH1CADH1BHRH4HRH3
SCHEMBL10451583 0.74 PIK3CD (0.63) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL17921648 0.73 KMT2A (0.42) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL17828082 0.73 KMT2A (0.42) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL17923280 0.72 ADH1C (0.37) ADH1AADH1CADH1BPIK3CDHRH4
SCHEMBL29957698 0.72 ADH1A (0.50) ADH1AADH1CADH1BHRH4HRH3
SCHEMBL13683785 0.72 PIK3CD (0.65) ADH1AADH1CADH1BPIK3CDHRH4

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-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed