SCHEMBL5317499

SCHEMBL5317499

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.56
CCR3 P51677 1/20 0.47
EPHX2 P34913 4/20 0.46
CHRM4 P08173 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DPP4 P27487 2/20 0.43
KCNH2 Q12809 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NAMPT P43490 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2J2 P51589 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5318392 0.91 CD274 (0.58) CD274CCR3EPHX2CHRM4DRD2
SCHEMBL5315942 0.89 CD274 (0.56) CD274CCR3EPHX2CHRM4DRD2
SCHEMBL5314550 0.87 CD274 (0.53) CD274CCR3EPHX2CHRM4DRD2
SCHEMBL5318987 0.87 CD274 (0.56) CD274CCR3EPHX2CHRM4DRD2
SCHEMBL5316471 0.87 CD274 (0.56) CD274CCR3EPHX2CHRM4DPP4
SCHEMBL5317478 0.86 CCR3 (0.54) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5314465 0.86 CD274 (0.51) CD274CCR3EPHX2CHRM4DRD2
SCHEMBL5315964 0.85 CD274 (0.54) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5314744 0.85 CD274 (0.54) CD274CCR3KCNH2MKNK1MKNK2
SCHEMBL5318512 0.84 CCR3 (0.57) CD274CCR3CHRM4DRD2DRD3

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