SCHEMBL6160900

SCHEMBL6160900

COc1cc(C=CCN2CCN(c3ccc(-c4ccc(F)cc4)cc3C)CC2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 5/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 1/20 0.43
CXCL12 P48061 1/20 0.43
HTT P42858 1/20 0.42
GLO1 Q04760 1/20 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
SCHEMBL6160264 0.86 MAPT (0.45) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL6160253 0.86 MAPT (0.45) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL8232286 0.81 ACHE (0.61) ACHEMAPTKDM4EALDH1A1MAPK1
SCHEMBL7724052 0.81 ACHE (0.61) ACHEMAPTKDM4EALDH1A1MAPK1
SCHEMBL3364853 0.74 APP (0.62) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL3364855 0.74 APP (0.62) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL6159816 0.70 LMNA (0.67) MAPTKDM4EALDH1A1ALOX15TSHR
SCHEMBL11585649 0.68 MAPT (0.53) ACHEMAPTKDM4EALDH1A1HPGD
SCHEMBL11585652 0.68 MAPT (0.53) ACHEMAPTKDM4EALDH1A1HPGD
Trelnarizine SCHEMBL7860095 0.68 LMNA (0.64) ACHEMAPTKDM4EALDH1A1MAPK1

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 2 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