SCHEMBL6131799

SCHEMBL6131799

CNC(=O)Oc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 3/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49

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
SCHEMBL6131795 0.90 ALDH1A1 (0.67) TP53MAPTALDH1A1KDM4ETDP1
SCHEMBL6131928 0.89 ADRA1D (0.57) ADRA1DADRA1AADRA1BALDH1A1KDM4E
SCHEMBL6131874 0.89 ADRA1D (0.57) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL6131777 0.89 ADRA1D (0.59) ADRA1DADRA1AADRA1BTP53MAPT
Hydrochloric Acid SCHEMBL6131911 0.89 ALDH1A1 (0.65) TP53MAPTALDH1A1KDM4ETDP1
SCHEMBL6131894 0.88 ADRA1D (0.53) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6132049 0.88 ADRA1D (0.55) ADRA1DADRA1AADRA1BALDH1A1KDM4E
SCHEMBL6132007 0.87 ADRA1D (0.76) ADRA1DADRA1AADRA1BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6131948 0.87 ADRA1D (0.54) ADRA1DADRA1AADRA1BTP53MAPT
SCHEMBL6131837 0.81 ALDH1A1 (0.65) ADRA1DADRA1AADRA1BALDH1A1KDM4E

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 6 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
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