SCHEMBL8330893

SCHEMBL8330893

Cc1cc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nnc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
TSHR P16473 2/20 0.62
NFKB1 P19838 2/20 0.62
HIF1A Q16665 2/20 0.62
THPO P40225 1/20 0.62
DRD3 P35462 7/20 0.62
DRD2 P14416 6/20 0.62
LMNA P02545 2/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
HTR7 P34969 8/20 0.58
HTR2A P28223 8/20 0.58
HTR6 P50406 5/20 0.58
HTR1A P08908 5/20 0.57

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
SCHEMBL8327494 0.83 DRD4 (0.62) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8327302 0.83 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8329763 0.83 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8329358 0.79 DRD4 (0.72) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8330191 0.79 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5382639 0.79 DRD4 (0.76) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8858012 0.79 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8327926 0.79 DRD4 (0.74) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8327515 0.79 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8328645 0.79 DRD4 (0.67) DRD4MAPK1CYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 WO claimed
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 WO disclosed