SCHEMBL6131961

SCHEMBL6131961

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 9/20 0.56
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 4/20 0.55
MAPK1 P28482 3/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
TP53 P04637 1/20 0.55
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
TSHR P16473 2/20 0.53
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.52
NOD2 Q9HC29 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6131838 0.98 DRD2 (0.56) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6131770 0.96 ALDH1A1 (0.56) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6131809 0.87 DRD2 (0.61) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7682482 0.86 DRD2 (0.60) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6131825 0.85 DRD2 (0.58) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6131976 0.84 DRD2 (0.58) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6131821 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL7686968 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL6131779 0.82 KDM4E (0.64) DRD2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6131842 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10

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