SCHEMBL246381

SCHEMBL246381

COc1ccccc1N1CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.76
SLC6A2 P23975 2/20 0.76
SLC6A4 P31645 2/20 0.76
ALDH1A1 P00352 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
MAPT P10636 1/20 0.76
NLRP1 Q9C000 1/20 0.76
HTR2A P28223 2/20 0.71
HTR7 P34969 2/20 0.71
DRD2 P14416 3/20 0.71
DRD3 P35462 2/20 0.71
HTR1A P08908 2/20 0.69
ADRA1A P35348 1/20 0.69
KDM4E B2RXH2 1/20 0.68
TDP1 Q9NUW8 1/20 0.68

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
Hydrochloric Acid SCHEMBL11846622 0.90 LMNA (0.93) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
Dimetholizine SCHEMBL2110772 0.87 DRD2 (0.76) SLC6A2SLC6A4HTR2AHTR7DRD2
SCHEMBL6526368 0.87 DRD2 (0.85) SLC6A2SLC6A4ALDH1A1HTR2AHTR7
SCHEMBL30206503 0.86 DRD2 (0.78) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL1255253 0.86 DRD2 (0.78) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8980706 0.85 DRD2 (0.76) LMNAALDH1A1SMN1; SMN2HTR2AHTR7
Hydrochloric Acid SCHEMBL11651993 0.85 DRD2 (0.76) LMNAALDH1A1SMN1; SMN2HTR2AHTR7
SCHEMBL3411899 0.84 SLC6A2 (0.76) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL8121554 0.83 HTR1A (0.77) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL12642679 0.83 LMNA (0.67) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2

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
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO claimed