SCHEMBL5318987

SCHEMBL5318987

N#Cc1ccc(CCN2CC3CN(CCNC(=O)c4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.56
CCR3 P51677 1/20 0.47
KCNH2 Q12809 2/20 0.46
KCNJ1 P48048 1/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
NAMPT P43490 3/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CHRM4 P08173 1/20 0.45
DPP4 P27487 2/20 0.43
EPHX2 P34913 2/20 0.43
HAT1 O14929 2/20 0.43
EP300 Q09472 2/20 0.43
RAB9A P51151 1/20 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
SCHEMBL5336551 0.95 EPHX2 (0.52) CD274CCR3KCNH2NAMPTEPHX2
SCHEMBL5317478 0.95 CCR3 (0.54) CD274CCR3DRD2DRD3NAMPT
SCHEMBL5315274 0.94 CD274 (0.53) CD274CCR3KCNH2KCNJ1DRD2
SCHEMBL5315964 0.94 CD274 (0.54) CD274CCR3KCNH2DRD2DRD3
SCHEMBL5316471 0.91 CD274 (0.56) CD274CCR3KCNH2NAMPTMKNK1
SCHEMBL5319119 0.90 CD274 (0.49) CD274CCR3KCNH2DRD2DRD3
SCHEMBL5315542 0.90 CD274 (0.47) CD274CCR3KCNH2DRD2DRD3
SCHEMBL4125747 0.89 KCNH2 (0.48) CD274KCNH2KCNJ1DRD2DRD3
SCHEMBL5318392 0.89 CD274 (0.58) CD274CCR3KCNH2DRD2DRD3
SCHEMBL5318512 0.89 CCR3 (0.57) CD274CCR3DRD2DRD3NAMPT

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