SCHEMBL29675508

SCHEMBL29675508

CCC(=O)N[C@H](C)c1cc(F)cc(N2CCN(CCO)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
PRCP P42785 3/20 0.40
HTR1A P08908 4/20 0.39
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ACACB O00763 3/20 0.36
USP2 O75604 1/20 0.36
MAP4K4 O95819 1/20 0.36
TNIK Q9UKE5 1/20 0.36

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
SCHEMBL29676228 0.89 MAPK1 (0.42) MAPK1MEN1KMT2AGFERLMNA
SCHEMBL29675407 0.83 MEN1 (0.56) MEN1KMT2AGFERPRCPHTR1A
SCHEMBL18794507 0.81 ALDH1A1 (0.43) HTR1ALMNACTSLCTSBCTSS
SCHEMBL23343854 0.77 MAPK1 (0.40) MAPK1MEN1KMT2ALMNACTSK
SCHEMBL31036979 0.76 HTT (0.49) MEN1KMT2ALMNAACACB
SCHEMBL29675587 0.75 MAPK1 (0.42) MAPK1GFERLMNAACACB
SCHEMBL29676031 0.75 MAPK1 (0.42) MAPK1ACACB
SCHEMBL29675856 0.71 MEN1 (0.55) MAPK1MEN1KMT2AGFERLMNA
SCHEMBL20738607 0.69 MAPK1 (0.44) MAPK1LMNACTSLCTSBCTSS
SCHEMBL29675519 0.69 MAPK1 (0.43) MAPK1HTR1ADRD2HTR7HTR6

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-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed