SCHEMBL29675377

SCHEMBL29675377

CC(=O)N[C@H](CO)c1cccc(N(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
MAPK1 P28482 8/20 0.41
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL23343856 0.86 MAPK1 (0.40) ACACBMAPK1ADORA2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29676873 0.85 MAPK1 (0.39) ACACBMAPK1ADORA2AALDH1A1SMN1; SMN2
SCHEMBL18793899 0.84 MAPK1 (0.46) ACACBMAPK1
SCHEMBL24925804 0.84 MAPK1 (0.44) ACACBMAPK1KMT2ASMN1; SMN2
SCHEMBL29676835 0.82 MAPK1 (0.38) ACACBMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL29676186 0.81 ACACB (0.48) ACACBMAPK1CYP3A4ADORA2AADORA1
SCHEMBL29675858 0.79 NPSR1 (0.39) ACACBMAPK1ADORA2AALDH1A1LMNA
SCHEMBL18765710 0.77 KCNA5 (0.42) ACACBMAPK1CYP3A4ADORA2A
SCHEMBL29675917 0.76 ADRB1 (0.49) ACACBMAPK1ALDH1A1
SCHEMBL29676282 0.73 TRPV3 (0.47) ACACBADORA2AADORA1

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 4 patents. 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
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed