SCHEMBL25029992

SCHEMBL25029992

CC(C)OC[C@H]1CC[C@H](COCCC(=O)N[C@H]2CC[C@@H](C(=O)C(C)C)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
KMT2A Q03164 1/20 0.30
NPY5R Q15761 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
SCHEMBL25029513 1.00 DRD2 (0.33) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL25030380 1.00 DRD2 (0.33) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL26303631 0.94 CNR2 (0.36) CNR1CNR2MAPTHPGDSMN1; SMN2
SCHEMBL26062800 0.94 CNR2 (0.36) CNR1CNR2MAPTHPGDSMN1; SMN2
SCHEMBL26058591 0.92 MAPT (0.30) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL26201744 0.92 MAPT (0.30) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL25029996 0.92 MAPT (0.30) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL25030401 0.89 DRD2 (0.38) DRD2HTR2ADRD3CNR1CNR2
SCHEMBL26058590 0.89 DRD2 (0.36) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL26303621 0.89 DRD2 (0.34) DRD2HTR2ADRD3HTR1ADRD1

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
WO-2023161877-A1 CYTOTOXICITY TARGETING CHIMERAS FOR INTEGRIN AVB6-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023017483-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 WO disclosed