SCHEMBL5315964

SCHEMBL5315964

N#Cc1ccc(CCCN2CC3CN(CCNC(=O)c4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.54
CCR3 P51677 1/20 0.50
KDM1A O60341 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
DRD3 P35462 6/20 0.45
DRD2 P14416 4/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
NAMPT P43490 2/20 0.43
CHRM4 P08173 1/20 0.43
KCNH2 Q12809 2/20 0.43
DPP4 P27487 2/20 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
SCHEMBL5318512 0.95 CCR3 (0.57) CD274CCR3DRD3DRD2NAMPT
SCHEMBL5318987 0.94 CD274 (0.56) CD274CCR3DRD3DRD2MKNK1
SCHEMBL5316471 0.89 CD274 (0.56) CD274CCR3MKNK1MKNK2NAMPT
SCHEMBL5336551 0.89 EPHX2 (0.52) CD274CCR3NAMPTKCNH2
SCHEMBL5317478 0.88 CCR3 (0.54) CD274CCR3DRD3DRD2NAMPT
SCHEMBL5315274 0.88 CD274 (0.53) CD274CCR3DRD3DRD2MKNK1
SCHEMBL5318392 0.87 CD274 (0.58) CD274CCR3DRD3DRD2MKNK1
SCHEMBL2967590 0.86 KCNH2 (0.44) CD274CCR3KDM1AHDAC6DRD3
SCHEMBL5315942 0.85 CD274 (0.56) CD274CCR3DRD3DRD2MKNK1
SCHEMBL5317499 0.85 CD274 (0.56) CD274CCR3DRD3DRD2MKNK1

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 disclosed