SCHEMBL27367338

SCHEMBL27367338

CCN(CC)Sc1ccc2c(c1)CCC(C(O)CC(=O)OC(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL27367322 0.81 CCKBR (0.35) GPR119
SCHEMBL27367016 0.77 ACHE (0.36) ACHEDRD2DRD3
SCHEMBL27367345 0.66 PDK1 (0.38)
SCHEMBL27367100 0.65 MCHR1 (0.38) ACHEDRD2DRD3GPR119
SCHEMBL27367125 0.63 MCHR1 (0.39) ACHEDRD2DRD3
SCHEMBL27367215 0.62 AOC3 (0.36) ACHE
SCHEMBL27367022 0.62 HTR2C (0.45) ACHE
SCHEMBL6630069 0.61 CYP2D6 (0.38)
SCHEMBL20006885 0.61 HTR1D (0.51) DRD2DRD3
SCHEMBL13957550 0.61 CYP2D6 (0.35)

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