SCHEMBL9428210

SCHEMBL9428210

COc1cc(Cl)ccc1OCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 5/20 0.47
ADRA1A P35348 5/20 0.46
DRD2 P14416 3/20 0.46
MAPT P10636 2/20 0.46
DRD3 P35462 2/20 0.46
LMNA P02545 2/20 0.46
HTR1A P08908 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL9428955 0.87 ALDH1A1 (0.45) ADRA1BADRA1ADRD2DRD3LMNA
SCHEMBL9429697 0.87 DRD2 (0.57) ADRA1BADRA1ADRD2MAPTDRD3
SCHEMBL9428375 0.85 ALDH1A1 (0.43) ADRA1BADRA1ADRD2DRD3LMNA
SCHEMBL9429324 0.84 DRD2 (0.56) DRD2DRD3HTR1AHRH1
SCHEMBL9386908 0.84 HTR1A (0.45) ADRA1BADRA1ADRD2MAPTDRD3
SCHEMBL9383816 0.84 KDM4E (0.47) LMNAHTR1AMAPK1CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL9428228 0.83 SIGMAR1 (0.55) DRD2DRD3HTR1AHRH1
Hydrochloric Acid SCHEMBL9385887 0.83 KDM4E (0.46) LMNAMAPK1CYP2C19ALDH1A1THRB
Hydrochloric Acid SCHEMBL9384753 0.83 MAPT (0.44) ADRA1BADRA1ADRD2MAPTDRD3
SCHEMBL9428295 0.82 KIT (0.46) ADRA1BADRA1ADRD2MAPTDRD3

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed