SCHEMBL6131809

SCHEMBL6131809

COc1cc(Cl)c(CN2CCN(c3ccccn3)CC2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
KDM4E B2RXH2 8/20 0.57
LMNA P02545 4/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
USP2 O75604 1/20 0.57
NOD2 Q9HC29 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 8/20 0.56
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.52
HTR4 Q13639 1/20 0.51
DRD4 P21917 4/20 0.50
CYP2C9 P11712 2/20 0.49

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
Hydrochloric Acid SCHEMBL7682482 0.99 DRD2 (0.60) DRD2KDM4ELMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6131976 0.97 DRD2 (0.58) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131825 0.96 DRD2 (0.58) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131961 0.87 DRD2 (0.58) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131838 0.85 DRD2 (0.56) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131770 0.85 ALDH1A1 (0.56) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131898 0.83 ALDH1A1 (0.71) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131901 0.83 KDM4E (0.62) DRD2KDM4ELMNASMN1; SMN2MAPT
SCHEMBL6131859 0.82 ALDH1A1 (0.54) DRD2KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL6131848 0.82 ALDH1A1 (0.54) DRD2KDM4ELMNAMAPK1SMN1; SMN2

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 7 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 claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
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