SCHEMBL6131795

SCHEMBL6131795

CNC(=O)Oc1ccc(CN2CCN(c3ccccc3F)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
KDM4E B2RXH2 9/20 0.65
TDP1 Q9NUW8 2/20 0.65
GAA P10253 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALOX15 P16050 3/20 0.57
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 3/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 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 SCHEMBL6131911 0.98 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL6131943 0.91 KDM4E (0.63) ALDH1A1KDM4ETDP1SMN1; SMN2ALOX15
SCHEMBL6131799 0.90 ADRA1D (0.56) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL6132010 0.89 GAA (0.62) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL6131830 0.89 KDM4E (0.62) ALDH1A1KDM4ETDP1GAAALOX15
SCHEMBL6131861 0.89 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1GAAALOX15
SCHEMBL6131769 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6131834 0.87 KDM4E (0.60) ALDH1A1KDM4ETDP1GAAALOX15
SCHEMBL6131917 0.86 HTR7 (0.53) ALDH1A1KDM4ETDP1GAAALOX15
SCHEMBL6131806 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1GAASMN1; SMN2

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