SCHEMBL6131846

SCHEMBL6131846

CNC(=O)Oc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
NPSR1 Q6W5P4 1/20 0.70
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
PARP1 P09874 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 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
SCHEMBL6131904 0.89 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
SCHEMBL6131995 0.89 MAPT (0.61) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
Hydrochloric Acid SCHEMBL6131860 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
SCHEMBL6131959 0.86 PPARD (0.58) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
SCHEMBL6131992 0.85 KMT2A (0.60) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
Hydrochloric Acid SCHEMBL6132030 0.85 PPARD (0.57) SMN1; SMN2ALDH1A1MAPTNPSR1LMNA
SCHEMBL6131943 0.81 KDM4E (0.63) SMN1; SMN2ALDH1A1LMNADRD2DRD4
SCHEMBL6131920 0.81 KMT2A (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6131936 0.80 KDM4E (0.55) ALDH1A1LMNADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6131827 0.80 KDM4E (0.54) ALDH1A1LMNADRD2DRD4DRD3

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