SCHEMBL26834855

SCHEMBL26834855

CN1CCC(CCCOC(=O)c2c(I)cc(I)c(N)c2I)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.39
ACHE P22303 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL21705288 0.86 HTR4 (0.50) HTR4CHRM4CHRM5CHRM3HDAC1
SCHEMBL4541534 0.77 ESR1 (0.37) CHRM1
SCHEMBL11819470 0.77 ESR1 (0.37) CHRM1
SCHEMBL11821639 0.72 SERPINE1 (0.40) CHRM1
SCHEMBL26427846 0.70 HTR4 (0.38) HTR4ACHECHRM2CHRM4CHRM5
SCHEMBL21705229 0.69 HTR4 (0.43) HTR4CHRM3HDAC1HDAC2HDAC3
SCHEMBL9717766 0.67 LMNA (0.39) CHRM1
SCHEMBL9387753 0.66 CFTR (0.41) ACHECHRM1
SCHEMBL8752081 0.64 ESR1 (0.58)
SCHEMBL9717764 0.64 LMNA (0.38) CHRM1

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
US-11835859-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-05 US disclosed