SCHEMBL1541630

SCHEMBL1541630

COc1[c]c(C)c(N)c(O)c1OCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
ADRB2 P07550 2/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALOX5 P09917 2/20 0.39
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.38
FFAR1 O14842 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL1542265 0.80 GRIN2D (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL2180109 0.73 GRIN2D (0.43) SCN9ALMNA
SCHEMBL2179672 0.73 LMNA (0.41) ALOX5SCN9ALMNAFFAR1PDE4A
SCHEMBL3434604 0.70 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL8901961 0.63 CYP2D6 (0.58) IDO1
SCHEMBL90811 0.63 IDO1 (0.61) IDO1LMNA
SCHEMBL11419578 0.63 HTR1A (0.58) IDO1ADRB2DRD2DRD1DRD4
SCHEMBL1541828 0.62 SMN1; SMN2 (0.47) SCN9APDE4D
SCHEMBL8827585 0.62 ABCB1 (0.35)
SCHEMBL8827624 0.62 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D

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
EP-2303850-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2011-04-06 EP disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 WO disclosed