SCHEMBL29675879

SCHEMBL29675879

CCC(=O)N[C@H](C)c1cccc(N2CC(N(C)C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.46
MAPK1 P28482 3/20 0.42
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL29676192 0.91 ACACB (0.51) ACACBMAPK1HRH3
SCHEMBL29676278 0.91 ACACB (0.51) ACACBMAPK1HRH3
SCHEMBL29675797 0.89 ACACB (0.49) ACACBMAPK1
SCHEMBL29675445 0.81 ACACB (0.43) ACACBMAPK1
SCHEMBL29675364 0.80 HTR3E (0.46) ACACBMAPK1
SCHEMBL18765485 0.80 HTR3E (0.46) ACACBMAPK1
SCHEMBL29675442 0.79 PRKCQ (0.46) ACACBMAPK1
SCHEMBL29675748 0.79 PRKCQ (0.46) ACACBMAPK1
SCHEMBL29675453 0.79 SHMT2 (0.47) ACACBMAPK1
SCHEMBL29675744 0.79 AOC3 (0.45) ACACBMAPK1

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