SCHEMBL7724052

SCHEMBL7724052

COc1cc(/C=C/CN2CCN(c3ccc(Cc4ccc(F)cc4)cc3)CC2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.61
FGFR1 P11362 1/20 0.50
GAA P10253 4/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ABCB1 P08183 1/20 0.49
MAPT P10636 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
CXCL12 P48061 1/20 0.46

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
SCHEMBL8232286 1.00 ACHE (0.61) ACHEFGFR1GAAKMT2AALDH1A1
SCHEMBL6163904 0.83 ACHE (0.89) ACHEFGFR1
SCHEMBL6163899 0.83 ACHE (0.89) ACHEFGFR1
SCHEMBL6160266 0.82 LTA4H (0.55) GAAKMT2AMAPTKDM4EMAPK1
SCHEMBL6160259 0.82 LTA4H (0.55) GAAKMT2AMAPTKDM4EMAPK1
SCHEMBL6160900 0.81 ACHE (0.48) ACHEGAAKMT2AALDH1A1MAPT
SCHEMBL3364855 0.78 APP (0.62) FGFR1GAAKMT2AALDH1A1ABCB1
SCHEMBL3364853 0.78 APP (0.62) FGFR1GAAKMT2AALDH1A1ABCB1
SCHEMBL11585649 0.71 MAPT (0.53) ACHEGAAKMT2AALDH1A1ABCB1
SCHEMBL11585652 0.71 MAPT (0.53) ACHEGAAKMT2AALDH1A1ABCB1

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
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed