SCHEMBL28394397

SCHEMBL28394397

O=C1CN(CCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.59
SIGMAR1 Q99720 2/20 0.57
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
MGLL Q99685 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
KCNH2 Q12809 1/20 0.49
CCR3 P51677 1/20 0.49
ADRA1D P25100 1/20 0.47

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
SCHEMBL21047654 0.85 SLC6A3 (0.56) SLC6A3SIGMAR1HTR1ADRD2L3MBTL1
SCHEMBL26106505 0.82 SLC6A3 (0.62) SLC6A3SIGMAR1HTR1ADRD2L3MBTL1
SCHEMBL1585063 0.81 SLC6A3 (0.61) SLC6A3SIGMAR1HTR1ADRD2MAOA
Hydrochloric Acid SCHEMBL27638849 0.81 SLC6A3 (0.61) SLC6A3SIGMAR1L3MBTL1
SCHEMBL486687 0.80 SLC6A3 (0.66) SLC6A3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL8108965 0.80 SLC6A3 (0.66) SLC6A3SIGMAR1MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL486705 0.79 SLC6A3 (0.63) SLC6A3SIGMAR1HTR1ADRD2ACHE
Iodide SCHEMBL195620 0.79 SLC6A3 (0.63) SLC6A3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL2438031 0.78 SIGMAR1 (0.60) SIGMAR1GSK3AGSK3BMGLLGAA
SCHEMBL6897743 0.78 SLC6A3 (0.68) SLC6A3SIGMAR1HTR1ADRD2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689959-B Heterocyclic compounds as FGFR4 inhibitors 石药集团中奇制药技术(石家庄)有限公司 2022-04-01 CN disclosed
CN-111689959-A Heterocyclic compounds as FGFR4 inhibitors 石药集团中奇制药技术(石家庄)有限公司 2020-09-22 CN disclosed
CN-109153678-B Heterocyclic compounds as FGFR4 inhibitors 石药集团中奇制药技术(石家庄)有限公司 2020-04-14 CN disclosed