SCHEMBL6955707

SCHEMBL6955707

O=C(O)Oc1cccnc1N1CCN(CCOC2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 4/20 0.35
HTR2A P28223 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL6955705 0.89 KMT2A (0.43) DRD2GAAKMT2AKDM4EMAPT
Oxalic Acid SCHEMBL6965697 0.81 OPRK1 (0.41) DRD4GAAKMT2AKDM4EMAPT
SCHEMBL6960765 0.77 HRH1 (0.42) DRD2DRD4DRD3KMT2AKDM4E
SCHEMBL6965928 0.71 DRD2 (0.59) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6972143 0.70 DRD2 (0.58) DRD2DRD4DRD3
SCHEMBL6973725 0.69 HRH1 (0.47) DRD2DRD3HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL8787544 0.67 DRD2 (0.49) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6716119 0.66 GAA (0.49) GAAKMT2AKDM4EMAPTCYP2C19
SCHEMBL8715531 0.65 HTR2C (0.44) DRD3HTR1ALMNA
SCHEMBL6955492 0.65 DRD2 (0.54) DRD2DRD4DRD3KMT2AHTR1A

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