SCHEMBL9720648

SCHEMBL9720648

COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.70
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
KMT2A Q03164 1/20 0.67
DRD4 P21917 2/20 0.66
DRD2 P14416 2/20 0.66
DRD3 P35462 1/20 0.66
POLB P06746 1/20 0.61
TDP1 Q9NUW8 2/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL7691290 0.89 ALDH1A1 (0.71) HTR7MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL6131940 0.88 ADRA1D (0.70) DRD2
SCHEMBL9720726 0.87 KDM4E (0.79) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL9720681 0.85 MAPK1 (0.78) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL9720708 0.85 DRD4 (0.73) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL8403757 0.84 HTR7 (0.63) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL9720699 0.84 HTR7 (0.65) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL19561754 0.84 MAPK1 (0.80) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL6908666 0.83 MAPK1 (0.69) HTR7LMNAHTTMAPK1ALDH1A1
SCHEMBL9225440 0.82 MAPK1 (0.81) HTR7LMNAHTTMAPK1ALDH1A1

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