SCHEMBL31742565

SCHEMBL31742565

c1cncc(OCCOCCOCCOc2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.65
CHRNA4 P43681 8/20 0.65
CHRNA3 P32297 3/20 0.49
CHRNB4 P30926 2/20 0.49
ORAI1 Q96D31 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRNA7 P36544 2/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRND Q07001 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL23596366 0.91 CHRNB2 (0.60) CHRNB2CHRNA4CYP3A4LMNA
SCHEMBL12568183 0.91 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4ORAI1
SCHEMBL29469519 0.91 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4ORAI1
SCHEMBL20930335 0.91 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4ORAI1
SCHEMBL23745944 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4ORAI1
SCHEMBL10389963 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ORAI1
SCHEMBL9263607 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CYP3A4LMNA
SCHEMBL29985985 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CYP3A4
SCHEMBL10090161 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CYP3A4
SCHEMBL19342478 0.84 CHRNB2 (0.49) CHRNB2CHRNA4ORAI1

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
CN-121135635-A Pyridine ether biquaternary ammonium salt and preparation method and application thereof 山西大学 2025-12-16 CN disclosed