SCHEMBL6162955

SCHEMBL6162955

COc1ccc(CN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6160982 0.81 LMNA (0.70) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL6162033 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6162036 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL28298203 0.75 CHRM2 (0.79) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL18177883 0.75 MEN1 (0.70) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL6161283 0.75 DRD2 (0.55) KDM4ESLC6A4ALDH1A1HRH3
SCHEMBL9622845 0.73 KDM4E (0.53) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL28172286 0.72 SIGMAR1 (0.69) MEN1KMT2ACHRM2ALDH1A1
SCHEMBL6907959 0.72 MEN1 (0.63) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL11928962 0.72 CHRM2 (0.72) MEN1KMT2AKDM4ECYP1A2CHRM2

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 4 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
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 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