SCHEMBL29675900

SCHEMBL29675900

CCC(=O)N[C@H](C)c1cccc(N2CCC(F)(F)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.43
KIF18A Q8NI77 4/20 0.42
MAPK1 P28482 1/20 0.42
CHRNA7 P36544 1/20 0.39
NSD2 O96028 1/20 0.38
GBA1 P04062 1/20 0.38
PDE2A O00408 1/20 0.37

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
SCHEMBL29675364 0.81 HTR3E (0.46) ACACBMAPK1CHRNA7
SCHEMBL18765485 0.81 HTR3E (0.46) ACACBMAPK1CHRNA7
SCHEMBL29675744 0.81 AOC3 (0.45) ACACBMAPK1CHRNA7
SCHEMBL29675453 0.81 SHMT2 (0.47) ACACBMAPK1CHRNA7
SCHEMBL29675445 0.81 ACACB (0.43) ACACBMAPK1CHRNA7
SCHEMBL29675519 0.78 MAPK1 (0.43) ACACBMAPK1CHRNA7
SCHEMBL29675721 0.78 PIM2 (0.45) ACACBMAPK1CHRNA7
SCHEMBL29675686 0.78 PIM2 (0.45) ACACBMAPK1CHRNA7
SCHEMBL29675797 0.77 ACACB (0.49) ACACBMAPK1
SCHEMBL29675879 0.76 ACACB (0.46) 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