SCHEMBL21746548

SCHEMBL21746548

COCCOC(CN1CCOCC1)Cn1ccc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KDM1A O60341 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4D Q08499 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
SCHEMBL15885762 0.87 CYP2D6 (0.34) CYP2D6L3MBTL1KMT2APOLBKDM4E
SCHEMBL21747064 0.86 L3MBTL1 (0.35) CYP2D6L3MBTL1KMT2APOLBKDM4E
SCHEMBL21745887 0.81 KMT2A (0.43) KMT2APOLBKDM4EMEN1
SCHEMBL21746530 0.76 USP2 (0.54) CYP2D6L3MBTL1KMT2APOLBKDM4E
SCHEMBL21746420 0.76 KDM4E (0.38) CYP2D6L3MBTL1KMT2AKDM4EMEN1
SCHEMBL15885702 0.73 ALDH1A1 (0.34) CYP2D6L3MBTL1KMT2APOLBKDM4E
SCHEMBL10247439 0.72 HTR2A (0.51) POLBKDM1A
SCHEMBL15885692 0.68 KMT2A (0.44) KMT2APOLBKDM4EMEN1
SCHEMBL15885541 0.68 PDE4D (0.35) CYP2D6L3MBTL1KMT2APOLBKDM4E
SCHEMBL15134216 0.68 DRD2 (0.48) KDM1A

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