SCHEMBL5795265

SCHEMBL5795265

Cc1cc(Cl)c(OCCOc2ccccc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
REN P00797 6/20 0.50
KCNA3 P22001 1/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL7602449 0.87 MAPT (0.51) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL1751411 0.84 MAPT (0.49) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL12601506 0.83 REN (0.48) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL8165437 0.83 MAPT (0.48) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL8405334 0.82 ALDH1A1 (0.47) L3MBTL1KCNA3DRD2DRD4DRD3
SCHEMBL10289213 0.81 REN (0.50) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL3925202 0.81 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL695344 0.81 PKM (0.57) MAPK1L3MBTL1PKMKDM4EALDH1A1
SCHEMBL663105 0.80 REN (0.49) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL2547093 0.80 REN (0.52) MAPTHPGDMAPK1L3MBTL1REN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 WO disclosed
WO-2006021403-A1 BICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed