SCHEMBL22010254

SCHEMBL22010254

CCOC(=O)/C=C/CC[C@@H]1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
ADRA2C P18825 1/20 0.33
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL17130913 1.00 MAPT (0.42) MAPTALDH1A1HCAR2SLC6A2SLC6A4
SCHEMBL18269645 0.78 MAPT (0.44) MAPTALDH1A1HCAR2
SCHEMBL8987060 0.77 MAPT (0.51) MAPTALDH1A1HCAR2L3MBTL1TTR
SCHEMBL22009230 0.76 SLC6A2 (0.42) MAPTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL17130912 0.76 SLC6A2 (0.42) MAPTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL17131035 0.76 SLC6A2 (0.42) MAPTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL28035371 0.76 SLC6A2 (0.34) HCAR2SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL22009153 0.75 L3MBTL1 (0.44) MAPTHCAR2SLC6A2SLC6A4SLC6A3
SCHEMBL17130986 0.75 L3MBTL1 (0.44) MAPTHCAR2SLC6A2SLC6A4SLC6A3
SCHEMBL352366 0.74 HTR2A (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122747-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-05-20 EP disclosed