SCHEMBL6132056

SCHEMBL6132056

C=CCc1c(OCc2ccccc2)cccc1N(O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LIPE Q05469 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
BCHE P06276 5/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL10689679 0.75 HTR1A (0.48) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL6677331 0.74 PPIA (0.51) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL7172523 0.73 HTR1A (0.46) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL17694446 0.73 MEN1 (0.50) MAPTMAPK1TDP1L3MBTL1
SCHEMBL7561778 0.72 CYP2C19 (0.41) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL6132057 0.72 GABRA1 (0.39) TDP1HTR1AADRA1AKDM4ELMNA
SCHEMBL28281498 0.72 PTGER1 (0.53) MAPTMAPK1TDP1L3MBTL1KDM4E
Benzylamine SCHEMBL29043944 0.71 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL28399309 0.71 SGMS2 (0.47) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL6709201 0.70 CCNB2 (0.52) MAPTMAPK1TDP1L3MBTL1LIPE

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