SCHEMBL6958438

SCHEMBL6958438

O=C(O)OC1Cc2ccccc2CN1CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
SLC6A4 P31645 5/20 0.42
DRD3 P35462 8/20 0.42
DRD2 P14416 7/20 0.42
DRD4 P21917 6/20 0.42
SLC6A2 P23975 4/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 3/20 0.41
ADRA1A P35348 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 3/20 0.41
SLC22A2 O15244 2/20 0.41
SLC22A1 O15245 2/20 0.41
SLC22A3 O75751 2/20 0.41
CYP2D6 P10635 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 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
SCHEMBL6967112 0.85 HTR2A (0.48) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL5500239 0.82 HTR2A (0.47) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL7084849 0.81 HTR2A (0.44) HTR2ASLC6A4DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL6962899 0.81 HTR2A (0.46) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL6964395 0.81 CHRM1 (0.46) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL6962464 0.78 SLC6A4 (0.46) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL6963416 0.74 CHRM1 (0.58) DRD3DRD2DRD4CHRM2CHRM1
SCHEMBL5498986 0.74 HTR2A (0.51) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL6957807 0.73 SLC6A1 (0.45) HTR2ASLC6A4DRD3DRD2DRD4
SCHEMBL13051501 0.71 HTR2A (0.78) HTR2ASLC6A4DRD3DRD2DRD4

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
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP claimed