SCHEMBL9720762

SCHEMBL9720762

COc1ccccc1N1CCN(Cc2ccccc2-c2ccc(O)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.82
DRD2 P14416 5/20 0.80
DRD4 P21917 5/20 0.80
DRD3 P35462 5/20 0.80
HRH1 P35367 3/20 0.66
HRH2 P25021 3/20 0.66
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
HRH3 Q9Y5N1 1/20 0.61
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL29764232 0.90 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15937769 0.90 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15938480 0.89 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15937599 0.88 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15937713 0.85 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL9720681 0.82 MAPK1 (0.78) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL9720709 0.82 KDM4E (0.71) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15938107 0.81 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15937925 0.81 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1
SCHEMBL15937830 0.81 HTR7 (1.00) HTR7DRD2DRD4DRD3HRH1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed