SCHEMBL6969619

SCHEMBL6969619

O=C(O)Oc1cccc(N2CCN(CCCN3c4ccccc4OCOc4ccccc43)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.46
HTR1A P08908 7/20 0.46
DRD3 P35462 6/20 0.46
DRD2 P14416 10/20 0.44
MCHR1 Q99705 5/20 0.44
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 3/20 0.40
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6971866 0.85 DRD2 (0.46) HTR2AHTR1ADRD3DRD2MCHR1
SCHEMBL6965352 0.85 DRD3 (0.58) HTR2AHTR1ADRD3DRD2DRD4
Hydrochloric Acid SCHEMBL6973062 0.84 DRD2 (0.46) HTR2AHTR1ADRD3DRD2MCHR1
SCHEMBL6964674 0.78 DRD2 (0.48) HTR2AHTR1ADRD3DRD2MCHR1
SCHEMBL7465752 0.73 CHRM1 (0.51) HTR2ADRD2MCHR1HRH1CHRM1
SCHEMBL7468275 0.73 DRD2 (0.63) HTR2AHTR1ADRD3DRD2MCHR1
SCHEMBL6969702 0.73 DRD2 (0.46) HTR2AHTR1ADRD3DRD2MCHR1
SCHEMBL6971120 0.72 DRD2 (0.42) HTR2AHTR1ADRD3DRD2MCHR1
Hydrochloric Acid SCHEMBL6969809 0.72 DRD2 (0.46) HTR2ADRD3DRD2MCHR1DRD4
SCHEMBL7464940 0.71 CHRM1 (0.55) HTR2ADRD3DRD2MCHR1HTR2C

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-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP claimed