SCHEMBL5316201

SCHEMBL5316201

N#Cc1ccc(C(=O)NCCN2CC3CN(Cc4c(F)cccc4F)CC(C2)O3)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.51
EPHX2 P34913 4/20 0.43
CCR3 P51677 1/20 0.43
CHRM4 P08173 1/20 0.43
KCNH2 Q12809 1/20 0.43
NAMPT P43490 3/20 0.41
EED O75530 1/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2J2 P51589 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL5316471 0.86 CD274 (0.56) CD274EPHX2CCR3CHRM4KCNH2
SCHEMBL5314456 0.85 EPHX2 (0.52) CD274EPHX2CHRM4CYP2C9CYP2C19
SCHEMBL5316139 0.84 CD274 (0.51) CD274CCR3CHRM4NAMPTDRD2
SCHEMBL5318392 0.83 CD274 (0.58) CD274EPHX2CCR3CHRM4KCNH2
SCHEMBL5315537 0.82 CD274 (0.48) CD274CCR3CHRM4NAMPTDRD2
SCHEMBL5317499 0.81 CD274 (0.56) CD274EPHX2CCR3CHRM4KCNH2
SCHEMBL5315942 0.81 CD274 (0.56) CD274EPHX2CCR3CHRM4KCNH2
SCHEMBL5318987 0.81 CD274 (0.56) CD274EPHX2CCR3CHRM4KCNH2
SCHEMBL5336551 0.81 EPHX2 (0.52) CD274EPHX2CCR3KCNH2NAMPT
SCHEMBL5317478 0.81 CCR3 (0.54) CD274CCR3CHRM4NAMPTDRD2

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