SCHEMBL6056264

SCHEMBL6056264

CC(CCOc1ccccc1F)CCC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
GRM2 Q14416 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
SLC1A5 Q15758 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 1/20 0.39
CXCL8 P10145 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL17317732 0.89 KDM4E (0.42) KDM4EL3MBTL1KMT2ARAB9AGRM2
SCHEMBL6056250 0.85 MEN1 (0.44) HTTL3MBTL1KMT2ARAB9ATDP1
SCHEMBL21245509 0.84 PPARG (0.43) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL6056303 0.83 PPARG (0.44) HTTL3MBTL1RAB9ATDP1ALDH1A1
SCHEMBL6056484 0.82 MAPK1 (0.43) KDM4EHTTTDP1PPARAGAA
SCHEMBL1913765 0.78 KDM4E (0.45) KDM4EHTTL3MBTL1KMT2AGRM2
SCHEMBL3119985 0.78 KDM4E (0.45) KDM4EHTTL3MBTL1KMT2AGRM2
SCHEMBL6453186 0.78 KDM4E (0.45) KDM4EHTTL3MBTL1KMT2AGRM2
SCHEMBL6056262 0.78 PPARG (0.41) KMT2AMEN1ALDH1A1SLC1A5PPARG
SCHEMBL7171924 0.78 KDM4E (0.51) KDM4EHTTL3MBTL1KMT2AGRM2

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-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP disclosed
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed