SCHEMBL28652272

SCHEMBL28652272

CCOC(=O)C1NCCc2c1[nH]c1ccc(F)cc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.69
HTR2A P28223 12/20 0.60
HTR2C P28335 12/20 0.60
MAPKAPK5 Q8IW41 1/20 0.54
HTR2B P41595 3/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL30923475 1.00 MAPKAPK2 (0.69) MAPKAPK2HTR2AHTR2CMAPKAPK5HTR2B
SCHEMBL23070186 0.87 MAPKAPK2 (0.69) MAPKAPK2HTR2AHTR2CMAPKAPK5HTR2B
Hydrochloric Acid SCHEMBL11272723 0.86 MAPKAPK2 (0.73) MAPKAPK2HTR2AHTR2CMAPKAPK5HTR2B
SCHEMBL10481507 0.84 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5KMT2A
SCHEMBL273473 0.84 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5KMT2A
SCHEMBL11267091 0.83 KMT2A (0.74) MAPKAPK2HTR2AHTR2CHTR2BKMT2A
SCHEMBL6240455 0.82 MAPKAPK2 (1.00) MAPKAPK2HTR2AHTR2CMAPKAPK5HTR2B
SCHEMBL11270750 0.81 MAPKAPK2 (0.74) MAPKAPK2HTR2AHTR2CMAPKAPK5HTR2B
SCHEMBL31328292 0.80 MAPT (0.77) KMT2A
SCHEMBL9687220 0.80 MAPKAPK2 (0.50) MAPKAPK2HTR2AHTR2CMAPKAPK5KMT2A

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
CN-113307806-A Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof 陈冬寅 2021-08-27 CN disclosed