SCHEMBL6132073

SCHEMBL6132073

COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
MAPK1 P28482 2/20 0.65
HTR7 P34969 4/20 0.61
KDM4E B2RXH2 6/20 0.59
TDP1 Q9NUW8 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 2/20 0.58
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 2/20 0.57
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.53

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
SCHEMBL6131871 0.87 ALDH1A1 (0.75) ALDH1A1MAPK1HTR7KDM4ETDP1
SCHEMBL6131890 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1HTR7KDM4ETDP1
Hydrochloric Acid SCHEMBL7690877 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HTR7KDM4ETDP1
SCHEMBL6904904 0.81 USP2 (0.66) ALDH1A1MAPK1HTR7KDM4ETDP1
Hydrochloric Acid SCHEMBL11189440 0.80 USP2 (0.65) ALDH1A1MAPK1HTR7KDM4ETDP1
SCHEMBL16144706 0.80 PDE4B (0.70) ALDH1A1MAPK1HTR7KDM4EKMT2A
SCHEMBL7691290 0.80 ALDH1A1 (0.71) ALDH1A1MAPK1HTR7KDM4ETDP1
SCHEMBL18177886 0.79 MAPK1 (1.00) ALDH1A1MAPK1HTR7KDM4ESMN1; SMN2
SCHEMBL13559777 0.79 CHKA (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2ADRD4
SCHEMBL8325210 0.79 ALDH1A1 (0.63) ALDH1A1GAADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed