SCHEMBL21095669

SCHEMBL21095669

O=C(C[C@@H]1CN2CCC1C2)N1CCc2ccccc2[C@@H]1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.76
CHRM2 P08172 2/20 0.60
CHRM1 P11229 2/20 0.60
KCNH2 Q12809 2/20 0.60
CACNA1F O60840 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
KCNE1 P15382 1/20 0.60
KCNQ1 P51787 1/20 0.60
CACNA1D Q01668 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60
SCN5A Q14524 1/20 0.60
KCND3 Q9UK17 1/20 0.60
HHAT Q5VTY9 3/20 0.55
CYP2D6 P10635 1/20 0.54

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
SCHEMBL25607842 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL21095728 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL13960533 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23436347 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL10050700 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23436034 0.94 CHRM3 (0.84) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23435871 0.86 CHRM3 (0.81) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL21095694 0.86 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23436379 0.86 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL21095692 0.86 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
WO-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 WO disclosed