SCHEMBL9720708

SCHEMBL9720708

COc1ccccc1N1CCN(Cc2cccc(O)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.73
HTR7 P34969 4/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
POLB P06746 1/20 0.68
DRD2 P14416 2/20 0.65
DRD3 P35462 2/20 0.65
MAPK1 P28482 2/20 0.64
KDM4E B2RXH2 3/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 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
SCHEMBL9720699 0.86 HTR7 (0.65) DRD4HTR7KMT2APOLBDRD2
SCHEMBL9720681 0.85 MAPK1 (0.78) DRD4HTR7KMT2ADRD2DRD3
SCHEMBL9225440 0.85 MAPK1 (0.81) DRD4HTR7DRD2DRD3MAPK1
SCHEMBL9720648 0.85 HTR7 (0.70) DRD4HTR7KMT2APOLBDRD2
SCHEMBL7991732 0.85 DRD4 (1.00) DRD4HTR7KMT2APOLBDRD2
SCHEMBL9720726 0.84 KDM4E (0.79) DRD4HTR7KMT2ADRD2DRD3
SCHEMBL15937972 0.82 HTR7 (1.00) DRD4HTR7POLBDRD2DRD3
SCHEMBL8640854 0.82 DRD4 (0.69) DRD4HTR7POLBDRD2DRD3
SCHEMBL8641933 0.82 DRD4 (0.66) DRD4HTR7POLBDRD2DRD3
SCHEMBL7691290 0.81 ALDH1A1 (0.71) DRD4HTR7KMT2ADRD2DRD3

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