SCHEMBL3475831

SCHEMBL3475831

CC(=O)N1CCN(C(C)C([NH])=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 1/20 0.34
GFER P55789 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 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
SCHEMBL4723629 0.79 PIK3CD (0.47) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL4724913 0.79 PIK3CD (0.47) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL6188158 0.78 KDM4E (0.44) CYP1A2TDP1KMT2AKDM4EALDH1A1
SCHEMBL6187621 0.78 ATM (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1CHRNB2
SCHEMBL1105150 0.78 CYP1A2 (0.54) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL378021 0.76 CYP1A2 (0.52) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL21074578 0.76 CYP1A2 (0.52) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL4908778 0.76 MAOB (0.43) KMT2AKDM4ESMN1; SMN2ALDH1A1CHRNB2
SCHEMBL19701915 0.74 PIK3CD (0.50) PIK3CDCYP1A2TDP1KMT2AKDM4E
SCHEMBL22212138 0.74 PIK3CD (0.50) PIK3CDCYP1A2TDP1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO claimed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed