SCHEMBL28543053

SCHEMBL28543053

COc1cc(N2CCC[C@@H](OC(=O)NC(C)(C)C)C2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 2/20 0.38
▸ SLC16A1 P53985 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAK O14976 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ NTMT1 Q9BV86 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL27989183 0.79 NTMT1 (0.50) ALDH1A1L3MBTL1NTMT1
SCHEMBL28597887 0.78 NOTUM (0.43) ACACBNTMT1
SCHEMBL28543055 0.78 MAP4K4 (0.52) GAK
SCHEMBL28543056 0.78 MAP4K4 (0.52) GAK
SCHEMBL12312211 0.76 GAK (0.56) SLC16A3SLC16A1GAKALDH1A1
SCHEMBL23243692 0.75 GAK (0.47) SLC16A3SLC16A1GAKHSD11B1ADRA1D
SCHEMBL23243695 0.75 GAK (0.47) SLC16A3SLC16A1GAKHSD11B1ADRA1D
SCHEMBL10207748 0.75 LRRK2 (0.42) SLC16A3SLC16A1MEN1KMT2AGAK
SCHEMBL30135513 0.75 LRRK2 (0.43) MEN1KMT2AGAKALDH1A1LMNA
SCHEMBL311552 0.75 LRRK2 (0.43) MEN1KMT2AGAKALDH1A1LMNA

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-112601742-A Cathepsin C inhibitors 北京生命科学研究所 2021-04-02 — — CN disclosed
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