SCHEMBL22048136

SCHEMBL22048136

COc1ccc(CC[C@H](N)C=O)c(N(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AOC3 Q16853 1/20 0.37
HTR2A P28223 1/20 0.35
APLNR P35414 1/20 0.35
POLB P06746 2/20 0.34
ADRA1A P35348 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL21156890 0.81 KMT2A (0.38) MEN1KMT2APOLBL3MBTL1
SCHEMBL19980301 0.81 CCR5 (0.33) POLBMAPK1
SCHEMBL22710291 0.78 APLNR (0.38) MEN1KMT2AHTR2AAPLNRPOLB
SCHEMBL19980286 0.78 APLNR (0.38) MEN1KMT2AHTR2AAPLNRPOLB
SCHEMBL19980300 0.77 SLC6A2 (0.40) MEN1KMT2AAOC3TAAR1MAPT
SCHEMBL11313429 0.74 APLNR (0.42) AOC3HTR2AAPLNRPOLB
SCHEMBL27486417 0.73 HTT (0.53) MEN1KMT2AAOC3POLBTAAR1
SCHEMBL20344529 0.72 KMT2A (0.41) MEN1KMT2APOLBMAPK1L3MBTL1
SCHEMBL9687675 0.70 POLB (0.56) MEN1KMT2APOLB
SCHEMBL23671881 0.70 APLNR (0.41) AOC3HTR2AAPLNRPOLBADRA1A

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
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed