SCHEMBL6160875

SCHEMBL6160875

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
KIF11 P52732 2/20 0.42
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIT P10721 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
FEN1 P39748 1/20 0.37
TDP2 O95551 1/20 0.36
IKBKB O14920 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKD3 O94806 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL26739580 0.85 LMNA (0.47) PTGS2CYP2C9CYP2C19SMN1; SMN2FEN1
SCHEMBL21021745 0.85 APP (0.46) APPKIF11PTGS2KDM4EALDH1A1
SCHEMBL6162699 0.82 APP (0.50) APPCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL21021589 0.79 APP (0.45) APPKIF11PTGS2CYP3A4CYP2C19
SCHEMBL6161943 0.79 KCNH2 (0.43) APPCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL6161727 0.77 KIF11 (0.58) APPKIF11ALDH1A1MEN1KMT2A
SCHEMBL9057929 0.77 ALDH1A1 (0.52) APPPTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL16396318 0.77 CNR1 (0.55) KDM4EALDH1A1GAASMN1; SMN2FEN1
SCHEMBL6161978 0.76 IKBKB (0.41) APPPTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL257801 0.74 ACHE (0.50) APPPTGS2CYP3A4CYP2C9CYP2C19

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 8 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
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