SCHEMBL6131825

SCHEMBL6131825

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
KDM4E B2RXH2 6/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 4/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 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 7/20 0.56
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR4 Q13639 1/20 0.51

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
SCHEMBL6131809 0.96 DRD2 (0.61) DRD2KDM4ELMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL7682482 0.95 DRD2 (0.60) DRD2KDM4ELMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6131976 0.93 DRD2 (0.58) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131770 0.87 ALDH1A1 (0.56) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131961 0.85 DRD2 (0.58) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131898 0.83 ALDH1A1 (0.71) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131964 0.83 HTR4 (0.56) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131838 0.83 DRD2 (0.56) DRD2KDM4ELMNAMAPTMAPK1
SCHEMBL6131927 0.83 KDM4E (0.65) DRD2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL6131859 0.82 ALDH1A1 (0.54) DRD2KDM4ELMNAMAPTMAPK1

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