SCHEMBL6971120

SCHEMBL6971120

O=C(O)Oc1cccnc1N1CCN(CCCN2c3ccccc3OCOc3ccc(Cl)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
HTR2A P28223 4/20 0.42
MCHR1 Q99705 3/20 0.42
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
DRD3 P35462 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1A P08908 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
SCHEMBL6964674 0.93 DRD2 (0.48) DRD2HTR2AMCHR1DRD3MEN1
SCHEMBL6965947 0.88 HRH1 (0.43) DRD2HTR2AMCHR1ADRA1ADRD3
Hydrochloric Acid SCHEMBL6971834 0.87 HRH1 (0.42) DRD2HTR2AMCHR1ADRA1ADRD3
SCHEMBL6966481 0.85 KDM4E (0.42) DRD2HTR2AMCHR1DRD3MEN1
SCHEMBL6955492 0.84 DRD2 (0.54) DRD2HTR2AADRA1DADRA1ADRD3
SCHEMBL6969702 0.79 DRD2 (0.46) DRD2HTR2AMCHR1DRD3KMT2A
SCHEMBL6965928 0.79 DRD2 (0.59) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL6970693 0.79 CCR1 (0.41) DRD2HTR2AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6972143 0.78 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BDRD3
Hydrochloric Acid SCHEMBL6969809 0.78 DRD2 (0.46) DRD2HTR2AMCHR1DRD3KMT2A

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