SCHEMBL26201744

SCHEMBL26201744

CC(C)OC[C@H]1CC[C@@H](COCCC(=O)N[C@H]2C[C@@H](C(=O)C(C)C)C2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL25029996 1.00 MAPT (0.30) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL26058591 1.00 MAPT (0.30) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL25030380 0.92 DRD2 (0.33) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL25029513 0.92 DRD2 (0.33) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL25029992 0.92 DRD2 (0.33) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL26058593 0.89 MAPT (0.31) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL26058592 0.89 DRD2 (0.35) MAPTDRD2HTR2ADRD3
SCHEMBL25029995 0.89 MAPT (0.33) MAPTHTR1ADRD2DRD1DRD4
SCHEMBL26042397 0.87 MAPT (0.30) MAPT
SCHEMBL26204536 0.87 MAPT (0.30) MAPT

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
WO-2023161877-A1 CYTOTOXICITY TARGETING CHIMERAS FOR INTEGRIN AVB6-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed