SCHEMBL29675748

SCHEMBL29675748

CCC(=O)N[C@H](C)c1cccc(N2CCN[C@H](C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.46
ACACB O00763 7/20 0.46
MAPK1 P28482 2/20 0.43
PRKCD Q05655 2/20 0.42
PRKCA P17252 1/20 0.40
HDAC1 Q13547 1/20 0.39
PIM1 P11309 3/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 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
SCHEMBL29675442 1.00 PRKCQ (0.46) PRKCQACACBMAPK1PRKCDPRKCA
SCHEMBL29675744 0.85 AOC3 (0.45) PRKCQACACBMAPK1PRKCDPRKCA
SCHEMBL29676192 0.80 ACACB (0.51) ACACBMAPK1
SCHEMBL29676278 0.80 ACACB (0.51) ACACBMAPK1
SCHEMBL29675364 0.80 HTR3E (0.46) ACACBMAPK1
SCHEMBL18765485 0.80 HTR3E (0.46) ACACBMAPK1
SCHEMBL29675879 0.79 ACACB (0.46) ACACBMAPK1
SCHEMBL29675445 0.79 ACACB (0.43) ACACBMAPK1
SCHEMBL29675453 0.79 SHMT2 (0.47) ACACBMAPK1
SCHEMBL29675797 0.77 ACACB (0.49) 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