SCHEMBL27367100

SCHEMBL27367100

CCCCOC(=O)CC(O)C1CCc2cc(C(=O)N(C)C)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
DRD2 P14416 4/20 0.37
TAOK3 Q9H2K8 3/20 0.36
TAOK1 Q7L7X3 2/20 0.36
DRD3 P35462 4/20 0.36
GPR119 Q8TDV5 2/20 0.35
ACHE P22303 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL27367016 0.83 ACHE (0.36) MCHR1DRD2TAOK3TAOK1DRD3
SCHEMBL27367125 0.82 MCHR1 (0.39) MCHR1DRD2DRD3ACHECA1
SCHEMBL27366761 0.81 LMNA (0.32) MCHR1DRD2DRD3
SCHEMBL27367058 0.80 MCHR1 (0.39) MCHR1DRD2TAOK3TAOK1DRD3
SCHEMBL27367050 0.70 DRD2 (0.43) MCHR1DRD2DRD3ACHECA1
SCHEMBL13350380 0.69 ESR1 (0.49) DRD2DRD3
SCHEMBL27367345 0.67 PDK1 (0.38)
SCHEMBL15866398 0.67 ESR1 (0.47) DRD2DRD3
SCHEMBL13350378 0.67 ESR1 (0.47) DRD2DRD3
SCHEMBL27367322 0.67 CCKBR (0.35) MCHR1GPR119

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed