SCHEMBL6131863

SCHEMBL6131863

COc1cc(C(C)N2CCN(c3ccc4ccccc4n3)CC2)ccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
OGA O60502 7/20 0.46
ACACB O00763 1/20 0.44
SORD Q00796 1/20 0.43

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 SCHEMBL7693705 0.89 HRH3 (0.47) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL6131973 0.85 HRH3 (0.56) HRH3NPC1RAB9AKMT2AKDM4E
Water SCHEMBL7691512 0.84 HRH3 (0.55) HRH3NPC1RAB9AKMT2AKDM4E
Water SCHEMBL6131839 0.84 HRH3 (0.55) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL6131793 0.81 GAA (0.59) ALDH1A1LMNA
SCHEMBL6131867 0.79 UTS2R (0.52) SMN1; SMN2OGA
SCHEMBL6131934 0.79 UTS2R (0.52)
SCHEMBL6131865 0.78 NPC1 (0.49) HRH3NPC1RAB9AKMT2A
SCHEMBL6131776 0.78 UTS2R (0.52) ALDH1A1LMNASMN1; SMN2
SCHEMBL6131801 0.76 KMT2A (0.52) NPC1RAB9AKMT2AKDM4EALDH1A1

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