SCHEMBL28097296

SCHEMBL28097296

O=C(O)N1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
KDM4E B2RXH2 3/20 0.64
ALOX15 P16050 3/20 0.64
HTR1A P08908 2/20 0.64
POLB P06746 2/20 0.64
SLC6A4 P31645 1/20 0.64
HTR6 P50406 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 14/20 0.62
TP53 P04637 1/20 0.62
HTT P42858 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
TDO2 P48775 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL11864713 0.88 LMNA (0.66) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL18324889 0.85 LMNA (0.58) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL18324901 0.85 LMNA (0.66) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL3226626 0.83 MAPT (0.66) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL20740133 0.83 MAPT (0.47) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL31385885 0.83 MAPT (0.57) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL28097370 0.83 TDO2 (0.65) LMNAKDM4EALOX15HTR1ASLC6A4
SCHEMBL14875491 0.83 HTR2A (0.48) LMNAKDM4EALOX15HTR1APOLB
SCHEMBL28097371 0.83 MAPT (0.54) LMNAPOLBSLC6A4MAPTTP53
SCHEMBL1703585 0.83 SLC6A4 (0.67) LMNAHTR1ASLC6A4HTR6MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
CN-106045966-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-106045967-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-106045966-A Substituted heterocyclic compounds and application of same to medicines 广东东阳光药业有限公司 2016-10-26 CN disclosed
CN-106045967-A Substituted heterocyclic compounds and application of same to medicines 广东东阳光药业有限公司 2016-10-26 CN disclosed