SCHEMBL21746530

SCHEMBL21746530

Cc1ccn(CC(O)CN2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
ATM Q13315 1/20 0.48
PDE4D Q08499 3/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 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
SCHEMBL15885535 0.83 USP2 (0.54) USP2ATMPDE4DCYP2D6HSD17B10
SCHEMBL21746420 0.83 KDM4E (0.38) USP2PDE4DCYP2D6KMT2AL3MBTL1
SCHEMBL21747064 0.79 L3MBTL1 (0.35) PDE4DCYP2D6HSD17B10KMT2AL3MBTL1
SCHEMBL10247439 0.79 HTR2A (0.51) ALDH1A1POLBMAPK1
SCHEMBL21746548 0.76 CYP2D6 (0.35) PDE4DCYP2D6KMT2AL3MBTL1MEN1
SCHEMBL21745887 0.74 KMT2A (0.43) HSD17B10ALOX15KMT2AMEN1KDM4E
SCHEMBL709506 0.74 USP2 (1.00) USP2ATMCYP2D6HSD17B10KMT2A
SCHEMBL24707031 0.73 PDE4D (0.61) USP2PDE4DCYP2D6HSD17B10ALOX15
SCHEMBL30001517 0.73 PDE4D (0.61) USP2PDE4DCYP2D6HSD17B10ALOX15
SCHEMBL21747003 0.71 DRD2 (0.38) USP2ALOX15MAPTKMT2AMEN1

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-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed