SCHEMBL6131997

SCHEMBL6131997

CCOc1ccccc1N1CCN(C(C)c2ccc(OC(=O)NC)c(OC)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
UTS2R Q9UKP6 5/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6131801 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL7686644 0.86 UTS2R (0.49) KMT2AALDH1A1UTS2RLMNA
Hydrochloric Acid SCHEMBL7691264 0.85 UTS2R (0.49) UTS2RADRA1DADRA1AADRA1B
SCHEMBL6131771 0.82 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
Water SCHEMBL6131862 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL6131793 0.81 GAA (0.59) ALDH1A1UTS2RPOLBLMNA
SCHEMBL6132081 0.81 UTS2R (0.52) ALDH1A1UTS2RADRA1DADRA1AADRA1B
SCHEMBL6132007 0.80 ADRA1D (0.76) KMT2AALDH1A1KDM4EADRA1DADRA1A
Hydrochloric Acid SCHEMBL7693705 0.76 HRH3 (0.47) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL6131867 0.75 UTS2R (0.52) UTS2R

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 4 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 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