SCHEMBL5314465

SCHEMBL5314465

CC(C)(C)NC(=O)CN1CC2CN(CCNC(=O)c3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.51
KCNH2 Q12809 2/20 0.42
CACNA1H O95180 1/20 0.41
EPHX2 P34913 2/20 0.41
CCR3 P51677 1/20 0.41
CHRM4 P08173 1/20 0.41
NAMPT P43490 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL5314550 0.88 CD274 (0.53) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5317499 0.86 CD274 (0.56) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5318392 0.83 CD274 (0.58) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5318125 0.82 POLB (0.49) KCNH2EPHX2DPP4DRD2
SCHEMBL5414371 0.82 CD274 (0.50) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5314539 0.82 CD274 (0.50) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5315942 0.81 CD274 (0.56) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5318987 0.81 CD274 (0.56) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5316471 0.81 CD274 (0.56) CD274KCNH2EPHX2CCR3CHRM4
SCHEMBL5314744 0.80 CD274 (0.54) CD274KCNH2CCR3MKNK1MKNK2

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