SCHEMBL3986243

SCHEMBL3986243

Cc1cc(Cl)c(OCCCl)c(Cl)c1.Cc1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
REN P00797 8/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1751411 0.94 MAPT (0.49) MAPTHPGDMAPK1L3MBTL1DRD4
SCHEMBL7602449 0.84 MAPT (0.51) MAPTHPGDMAPK1L3MBTL1DRD4
SCHEMBL2799797 0.83 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL2543486 0.80 REN (0.49) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL832294 0.80 DRD4 (0.52) MAPK1L3MBTL1DRD4DRD2DRD3
SCHEMBL12601506 0.80 REN (0.48) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL8165437 0.80 MAPT (0.48) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL5795265 0.79 MAPT (0.58) MAPTHPGDMAPK1L3MBTL1DRD4
SCHEMBL10289213 0.78 REN (0.50) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL3925202 0.78 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 WO disclosed