SCHEMBL6161943

SCHEMBL6161943

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN1 Q05586 4/20 0.43
APP P05067 1/20 0.42
PLAU P00749 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
BRAF P15056 1/20 0.40
PLAT P00750 1/20 0.40
CYP2D6 P10635 3/20 0.40
MAPT P10636 1/20 0.40
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 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
SCHEMBL3375960 0.80 CYP17A1 (0.56) PLAU
SCHEMBL22187984 0.80 AAK1 (0.54) BRAFALDH1A1
SCHEMBL6160875 0.79 APP (0.46) APPMAPTALDH1A1CYP2C19KDM4E
SCHEMBL21255581 0.78 ACHE (0.47) APPPLAUCYP1A1CYP1B1PLAT
SCHEMBL8563139 0.77 CYP1A1 (0.62) CYP1A1CYP1B1CYP2D6MAPTSYK
SCHEMBL25297097 0.76 IMPDH2 (0.46) CYP1A1CYP1B1MAPTSYKALDH1A1
SCHEMBL22530493 0.76 ESR1 (0.65) CYP1A1CYP1B1SYK
SCHEMBL29392744 0.76 ESR1 (0.65) CYP1A1CYP1B1SYK
SCHEMBL21021745 0.75 APP (0.46) APPMAPTALDH1A1KDM4ETDP1
SCHEMBL27751015 0.75 ALDH1A1 (0.49) APPCYP2D6ALDH1A1LMNACYP1A2

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 9 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
CN-1157376-C Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same ��һ��������ҩ��ʽ���� 2004-07-14 CN 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-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
CN-1246110-A Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same SUNTORY LTD (JP) 2000-03-01 CN disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP 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