SCHEMBL27367058

SCHEMBL27367058

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
DRD2 P14416 2/20 0.38
ACHE P22303 7/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TAOK3 Q9H2K8 3/20 0.37
TAOK1 Q7L7X3 2/20 0.37
DRD3 P35462 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL27367100 0.80 MCHR1 (0.38) MCHR1DRD2ACHECA1CA2
SCHEMBL27367050 0.78 DRD2 (0.43) MCHR1DRD2ACHECA1CA2
SCHEMBL15866398 0.75 ESR1 (0.47) DRD2DRD3
SCHEMBL16171630 0.72 CNR2 (0.43) DRD2DRD3
SCHEMBL16171625 0.72 CNR2 (0.43) TAOK3
SCHEMBL15946396 0.71 ESR1 (0.48)
SCHEMBL15866397 0.71 ESR1 (0.48)
SCHEMBL13350380 0.70 ESR1 (0.49) DRD2DRD3
SCHEMBL6534296 0.69 GHSR (0.49)
SCHEMBL8178256 0.69 NAAA (0.50) ACHE

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