SCHEMBL6161635

SCHEMBL6161635

CNc1cc(F)ccc1-c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.48
SYK P43405 2/20 0.45
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
APP P05067 1/20 0.43
SQOR Q9Y6N5 1/20 0.43
GSK3B P49841 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
GCGR P47871 1/20 0.42

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
SCHEMBL6159066 0.90 STAT3 (0.48) STAT3CYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL6161978 0.86 IKBKB (0.41) STAT3CYP2C19KDM4ECYP2C9MAPT
SCHEMBL6068558 0.82 CYP2C19 (0.55) SYKCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL30604026 0.79 ADORA1 (0.43) CYP2C19CYP1A2CYP2C9MAPTSMN1; SMN2
SCHEMBL2952502 0.78 PTGS1 (0.57) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL11691477 0.77 SYK (0.48) SYKCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL6162699 0.77 APP (0.50) CYP2C19KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL11694239 0.76 GSK3B (0.48) SYKCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL31265226 0.76 GSK3B (0.48) SYKCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL30979851 0.75 NFE2L2 (0.51) SYKCYP2C19KDM4EMAPTAPP

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
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
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed