SCHEMBL6131962

SCHEMBL6131962

COc1cc(CN2CCN(c3ccccc3C)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 5/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.55
BCHE P06276 1/20 0.55
MAOA P21397 1/20 0.55
ACHE P22303 1/20 0.55
MAOB P27338 1/20 0.55
DRD2 P14416 2/20 0.53
GAA P10253 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
HTR7 P34969 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 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
Hydrochloric Acid SCHEMBL6131814 0.99 KDM4E (0.61) KDM4EALDH1A1ALOX15TSHRNPSR1
SCHEMBL6131832 0.92 KDM4E (0.63) KDM4EALDH1A1KMT2ABCHEMAOA
Hydrochloric Acid SCHEMBL6131893 0.91 KDM4E (0.62) KDM4EALDH1A1KMT2ABCHEMAOA
SCHEMBL6131925 0.90 ADRA1D (0.57) KDM4EALDH1A1ALOX15TSHRNPSR1
SCHEMBL6131975 0.90 BCHE (0.57) KDM4EALDH1A1ALOX15TSHRKMT2A
SCHEMBL6131998 0.90 KDM4E (0.66) KDM4EALDH1A1ALOX15TSHRKMT2A
Hydrochloric Acid SCHEMBL6131817 0.89 BCHE (0.56) KDM4EALDH1A1ALOX15TSHRKMT2A
SCHEMBL6131769 0.89 ALDH1A1 (0.67) KDM4EALDH1A1ALOX15TSHRNPSR1
SCHEMBL6131830 0.88 KDM4E (0.62) KDM4EALDH1A1ALOX15TSHRNPSR1
Hydrochloric Acid SCHEMBL6131834 0.86 KDM4E (0.60) KDM4EALDH1A1ALOX15TSHRNPSR1

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 3 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