SCHEMBL5315537

SCHEMBL5315537

N#Cc1ccc(C(=O)NCCN2CC3CN(Cc4cccc5ccccc45)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.48
RAB9A P51151 1/20 0.43
HPGDS O60760 4/20 0.43
CCR3 P51677 1/20 0.43
CHRM4 P08173 1/20 0.43
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
CA2 P00918 1/20 0.41
NAMPT P43490 2/20 0.41
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
CHRM3 P20309 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
SCHEMBL5333030 0.84 DRD2 (0.49) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5316471 0.83 CD274 (0.56) CD274CCR3CHRM4NAMPTCHRM3
SCHEMBL5316201 0.82 CD274 (0.51) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5316139 0.82 CD274 (0.51) CD274RAB9ACCR3CHRM4DRD2
SCHEMBL5318392 0.81 CD274 (0.58) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5317478 0.81 CCR3 (0.54) CD274RAB9ACCR3CHRM4DRD2
SCHEMBL5317499 0.79 CD274 (0.56) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5315942 0.79 CD274 (0.56) CD274CCR3CHRM4DRD2DRD3
SCHEMBL5318987 0.79 CD274 (0.56) CD274RAB9ACCR3CHRM4DRD2
SCHEMBL5314456 0.79 EPHX2 (0.52) CD274CHRM4

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