SCHEMBL9720699

SCHEMBL9720699

COc1ccccc1N1CCN(Cc2ccc3cc(O)ccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.65
MAPK1 P28482 1/20 0.64
DRD4 P21917 4/20 0.62
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 3/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 4/20 0.59
DRD3 P35462 3/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 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
SCHEMBL9720681 0.87 MAPK1 (0.78) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL9720708 0.86 DRD4 (0.73) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL9720648 0.84 HTR7 (0.70) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL7080244 0.81 HTR7 (0.54) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL9720726 0.81 KDM4E (0.79) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL7691290 0.81 ALDH1A1 (0.71) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL5750941 0.80 HTR7 (0.64) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL9225440 0.79 MAPK1 (0.81) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL8403757 0.79 HTR7 (0.63) HTR7MAPK1DRD4ALDH1A1KDM4E
SCHEMBL6131811 0.79 KDM4E (0.78) HTR7DRD4ALDH1A1KDM4EKMT2A

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