SCHEMBL6964674

SCHEMBL6964674

O=C(O)Oc1cccnc1N1CCN(CCCN2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.48
HTR2A P28223 5/20 0.48
MCHR1 Q99705 3/20 0.48
HTR1A P08908 2/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 4/20 0.43
DRD4 P21917 2/20 0.43
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM1 P11229 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
SCHEMBL6971120 0.93 DRD2 (0.42) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL6965928 0.85 DRD2 (0.59) DRD2DRD3DRD4CHRM1
SCHEMBL6969702 0.85 DRD2 (0.46) DRD2HTR2AMCHR1HTR1AHTR7
Hydrochloric Acid SCHEMBL6972143 0.85 DRD2 (0.58) DRD2DRD3DRD4CHRM1
Hydrochloric Acid SCHEMBL6969809 0.85 DRD2 (0.46) DRD2HTR2AMCHR1DRD3DRD4
SCHEMBL6957294 0.81 OPRK1 (0.44) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL6964899 0.80 HRH1 (0.40) DRD2HTR1AHTR7
SCHEMBL6971825 0.79 DRD2 (0.51) DRD2DRD3DRD4CHRM1
SCHEMBL6965947 0.79 HRH1 (0.43) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL6955492 0.79 DRD2 (0.54) DRD2HTR2AHTR1ADRD3DRD4

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