SCHEMBL6967112

SCHEMBL6967112

O=C(O)OC1CN1CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SLC6A4 P31645 7/20 0.46
DRD3 P35462 5/20 0.45
SLC6A2 P23975 4/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
ADRA1A P35348 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KCNH2 Q12809 3/20 0.45
HTR1A P08908 2/20 0.45
DRD1 P21728 2/20 0.45
OPRM1 P35372 2/20 0.45
ADRA2A P08913 1/20 0.45
TBXA2R P21731 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SLC6A1 P30531 1/20 0.45
DRD2 P14416 4/20 0.45
CHRM3 P20309 3/20 0.45

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
SCHEMBL7084849 0.90 HTR2A (0.44) HTR2AMTNR1AMTNR1BSLC6A4DRD3
SCHEMBL6958438 0.85 HTR2A (0.44) HTR2AMTNR1AMTNR1BSLC6A4DRD3
SCHEMBL6964395 0.84 CHRM1 (0.46) HTR2ASLC6A4DRD3SLC6A2CHRM2
SCHEMBL5498986 0.80 HTR2A (0.51) HTR2AMTNR1AMTNR1BSLC6A4DRD3
SCHEMBL6963416 0.78 CHRM1 (0.58) DRD3CHRM2CHRM1ADRA1ADRD2
SCHEMBL8202612 0.76 SLC6A1 (0.61) SLC6A4DRD3SLC6A2CHRM2CHRM1
SCHEMBL6968012 0.76 SLC6A1 (0.50) SLC6A4DRD3SLC6A2CHRM2CHRM1
SCHEMBL6957807 0.76 SLC6A1 (0.45) HTR2ASLC6A4DRD3SLC6A2CHRM2
SCHEMBL8206721 0.76 SLC6A1 (0.61) SLC6A4DRD3SLC6A2CHRM2CHRM1
SCHEMBL6968389 0.76 SLC6A1 (0.49) DRD3CHRM2CHRM1ADRA1ASLC6A1

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