SCHEMBL27367016

SCHEMBL27367016

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
MCHR1 Q99705 1/20 0.33
TAOK1 Q7L7X3 2/20 0.32
TAOK3 Q9H2K8 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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 0.83 MCHR1 (0.38) ACHEDRD2DRD3MCHR1TAOK1
SCHEMBL27367338 0.77 ACHE (0.32) ACHEDRD2DRD3
SCHEMBL27366761 0.74 LMNA (0.32) DRD2DRD3MCHR1
SCHEMBL27367345 0.67 PDK1 (0.38)
SCHEMBL27367322 0.66 CCKBR (0.35) MCHR1
SCHEMBL27367125 0.64 MCHR1 (0.39) ACHEDRD2DRD3MCHR1CA1
SCHEMBL27367058 0.63 MCHR1 (0.39) ACHEDRD2DRD3MCHR1TAOK1
SCHEMBL27367022 0.63 HTR2C (0.45) ACHEMCHR1CA1CA2THRB
SCHEMBL13350380 0.61 ESR1 (0.49) DRD2DRD3
SCHEMBL15866398 0.60 ESR1 (0.47) DRD2DRD3

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