SCHEMBL29564490

SCHEMBL29564490

CCOC(=O)CCN1C(=O)Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HTR7 P34969 10/20 0.48
DRD2 P14416 3/20 0.46
DRD5 P21918 2/20 0.46
DRD3 P35462 2/20 0.46
HTR1A P08908 4/20 0.46
DRD4 P21917 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL6420673 0.86 NOTUM (0.61) NOTUMMEN1KMT2ANPSR1HTR7
SCHEMBL2804936 0.86 HTR7 (0.51) NOTUMHTR7DRD2DRD5DRD3
SCHEMBL10814252 0.80 AADAT (0.49) NOTUMMEN1KMT2ANPSR1
SCHEMBL8240109 0.79 HTR7 (0.57) NOTUMHTR7DRD2DRD5DRD3
Bromide SCHEMBL284961 0.78 NAMPT (0.53) NOTUMMEN1KMT2AHTR7NAMPT
SCHEMBL11980498 0.77 NOTUM (0.64) NOTUMMEN1KMT2ANPSR1
SCHEMBL7476444 0.76 DRD2 (0.63) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL6696116 0.76 HTR7 (0.57) NOTUMHTR7DRD2DRD5DRD3
SCHEMBL4815348 0.76 ATAD2 (0.44) NOTUM
SCHEMBL5113192 0.75 HTR7 (0.53) NOTUMHTR7DRD2DRD5DRD3

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-2022080473-A1 NERVE CELL ACTIVATOR 三沢幸子 2022-04-21 WO disclosed