SCHEMBL29025239

SCHEMBL29025239

CN(CCO)CCCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRM2 P08172 4/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALOX15 P16050 1/20 0.37
LTA4H P09960 5/20 0.35
LSS P48449 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
SCHEMBL29025295 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL22291523 0.85 CHRM2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL28293534 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL29260591 0.80 LMNA (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL8239944 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL17399540 0.79 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
Trimethylammonium SCHEMBL2521120 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
Hydrochloric Acid SCHEMBL8108272 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL28293537 0.76 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3317557 0.75 LTA4H (0.39) CHRM2CYP2C19LTA4HMEN1KMT2A

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-116348147-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2023-06-27 CN disclosed