SCHEMBL6131973

SCHEMBL6131973

COc1cc(C(C)N2CCN(c3ccc4ccccc4n3)CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CYP1A2 P05177 1/20 0.47
THPO P40225 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
OGA O60502 6/20 0.47
SORD Q00796 1/20 0.47

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
Water SCHEMBL6131839 0.99 HRH3 (0.55) HRH3NPC1RAB9AKDM4EALDH1A1
Water SCHEMBL7691512 0.99 HRH3 (0.55) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL6131863 0.85 HRH3 (0.51) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL6131944 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7686966 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7693705 0.82 HRH3 (0.47) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL6131851 0.81 OGA (0.59) KDM4EALDH1A1HPGDKMT2ACYP1A2
Water SCHEMBL7685626 0.81 OGA (0.58) KDM4EALDH1A1HPGDKMT2ACYP1A2
Water SCHEMBL6131870 0.81 OGA (0.58) KDM4EALDH1A1HPGDKMT2ACYP1A2
SCHEMBL6131939 0.78 GAA (0.55) KDM4EALDH1A1LMNASMN1; SMN2KMT2A

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