SCHEMBL6162699

SCHEMBL6162699

CNc1ccc(-c2ccc(OC)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
CYP2C19 P33261 2/20 0.50
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 5/20 0.43
GAA P10253 4/20 0.43
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6160875 0.82 APP (0.46) APPCYP2C19KDM4ECYP2C9MAPT
SCHEMBL27781767 0.82 CYP2C19 (0.58) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL16184211 0.80 CYP2C19 (0.56) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL26739580 0.79 LMNA (0.47) CYP2C19CYP1A2CYP2C9MAPTNPSR1
SCHEMBL6068558 0.79 CYP2C19 (0.55) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12508085 0.77 CYP2C19 (0.54) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL6161635 0.77 STAT3 (0.48) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL6572471 0.77 NR4A1 (0.44) APPCYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL20886677 0.76 APP (0.56) APPCYP2C19KDM4EMAPTRAB9A
SCHEMBL18720937 0.76 CYP2C19 (0.52) APPCYP2C19KDM4ECYP1A2CYP2D6

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