SCHEMBL28564871

SCHEMBL28564871

O=C(O)N1CCc2nc(N3CCN[C@@H](CO)C3)ncc2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HSP90AB1 P08238 6/20 0.42
HSP90AA1 P07900 6/20 0.40
OGA O60502 1/20 0.38
SCN9A Q15858 1/20 0.37
LMNA P02545 2/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL28518413 1.00 MAPT (0.43) MAPTHSP90AB1HSP90AA1OGASCN9A
SCHEMBL21528192 0.85 MAPT (0.64) MAPTHSP90AB1HSP90AA1OGA
SCHEMBL21528022 0.85 MAPT (0.64) MAPTHSP90AB1HSP90AA1OGA
SCHEMBL21528005 0.85 MAPT (0.64) MAPTHSP90AB1HSP90AA1OGA
SCHEMBL28516998 0.84 MAPT (0.52) MAPTHSP90AB1HSP90AA1OGALMNA
SCHEMBL30405241 0.84 MAPT (0.52) MAPTHSP90AB1HSP90AA1OGALMNA
SCHEMBL30405886 0.83 MAPT (0.45) MAPTHSP90AB1HSP90AA1LMNA
SCHEMBL30675396 0.81 MAPK1 (0.35) MAPTHSP90AB1HSP90AA1
SCHEMBL30404408 0.81 MAPT (0.43) MAPTHSP90AB1HSP90AA1OGALMNA
SCHEMBL25677943 0.81 SCN9A (0.41) MAPTHSP90AB1SCN9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 CN disclosed