SCHEMBL5332902

SCHEMBL5332902

N#Cc1ccc(C(=O)NCCN2CC3CN(Cc4cc(F)cc5c4OCOC5)CC(C2)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.45
NAMPT P43490 3/20 0.41
KCNH2 Q12809 1/20 0.41
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
EPHX2 P34913 1/20 0.39
DRD3 P35462 6/20 0.39
DRD2 P14416 5/20 0.39
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR3 P51677 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL5314456 0.79 EPHX2 (0.52) CD274EPHX2CHRM4
SCHEMBL5333030 0.78 DRD2 (0.49) CD274DRD3DRD2DRD4POLB
SCHEMBL5316471 0.78 CD274 (0.56) CD274NAMPTKCNH2EPHX2ALDH1A1
SCHEMBL5316201 0.77 CD274 (0.51) CD274NAMPTKCNH2EPHX2DRD3
SCHEMBL5314554 0.76 KCNH2 (0.53) CD274NAMPTKCNH2EPHX2DRD2
SCHEMBL5315537 0.76 CD274 (0.48) CD274NAMPTDRD3DRD2DRD1
SCHEMBL5320698 0.76 CD274 (0.46) CD274NAMPTKCNH2EPHX2KDM4E
SCHEMBL5318392 0.76 CD274 (0.58) CD274NAMPTKCNH2EPHX2DRD3
SCHEMBL5336551 0.75 EPHX2 (0.52) CD274NAMPTKCNH2EPHX2CCR3
SCHEMBL5343476 0.75 MCHR1 (0.49) CD274KCNH2NPC1RAB9ANPSR1

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-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed