SCHEMBL5333030

SCHEMBL5333030

N#Cc1ccc(C(=O)NCCN2CC3CN(Cc4cccc5c4OCO5)CC(C2)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
HTR2A P28223 2/20 0.49
CD274 Q9NZQ7 1/20 0.47
CHRM4 P08173 4/20 0.43
FAAH O00519 1/20 0.41
TGM2 P21980 1/20 0.41
RECQL P46063 1/20 0.41
CCR3 P51677 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL5315537 0.84 CD274 (0.48) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5343476 0.83 MCHR1 (0.49) CD274
SCHEMBL5316471 0.82 CD274 (0.56) CD274CHRM4CCR3HTR1A
SCHEMBL5316139 0.81 CD274 (0.51) DRD2DRD3CD274CHRM4FAAH
SCHEMBL5316201 0.81 CD274 (0.51) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5318392 0.80 CD274 (0.58) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5332902 0.78 CD274 (0.45) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5317499 0.78 CD274 (0.56) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5315942 0.78 CD274 (0.56) DRD2DRD3CD274CHRM4CCR3
SCHEMBL5318987 0.78 CD274 (0.56) DRD2DRD3CD274CHRM4CCR3

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 claimed