SCHEMBL28111397

SCHEMBL28111397

CC(C=O)C1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.35
SLC6A4 P31645 14/20 0.35
SLC6A3 Q01959 8/20 0.35
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH1 P35367 2/20 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
SCHEMBL3309545 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL197401 0.78
Fluoride SCHEMBL28166838 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL12206944 0.77
SCHEMBL11572913 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL516648 0.77
SCHEMBL12206943 0.77
SCHEMBL2447937 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL28411964 0.77 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL17376453 0.75 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2

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
CN-106117128-B A kind of method that micro passage reaction continuously prepares pyridone chlorine addition product 江苏扬农化工集团有限公司 2018-12-28 CN disclosed
CN-106117128-A A kind of micro passage reaction prepares the method for pyridone chlorine addition product continuously 江苏扬农化工集团有限公司 2016-11-16 CN disclosed