SCHEMBL7397010

SCHEMBL7397010

CC(CCC=O)CN(C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 0.41
ADH1C P00326 7/20 0.41
ADH1B P00325 2/20 0.41
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PIK3CD O00329 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADH4 P08319 2/20 0.32
ADH7 P40394 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
SCHEMBL13955035 0.83 ADH1A (0.43) ADH1AADH1CADH1BKMT2AMEN1
SCHEMBL29951006 0.74 ADH1A (0.48) ADH1AADH1CADH1BMAPK1HRH4
SCHEMBL14098310 0.74 PIK3CD (0.42) ADH1AADH1CADH1BKMT2AMEN1
SCHEMBL17921648 0.74 KMT2A (0.42) ADH1AADH1CADH1BKMT2AMEN1
SCHEMBL17828082 0.74 KMT2A (0.42) ADH1AADH1CADH1BKMT2AMEN1
SCHEMBL29954517 0.72 ADH1A (0.45) ADH1AADH1CADH1BMAPK1HRH4
SCHEMBL29957190 0.72 ADH1A (0.54) ADH1AADH1CADH1BHRH4HRH3
SCHEMBL3938593 0.72 ADH1A (0.54) ADH1AADH1CADH1BHRH4HRH3
SCHEMBL10451583 0.72 PIK3CD (0.63) ADH1AADH1CADH1BKMT2AMEN1
SCHEMBL4993524 0.70 METAP1 (0.40) ADH1AADH1CADH1BMAPTADH4

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
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed