SCHEMBL28293534

SCHEMBL28293534

CN(CCCCl)CCCOC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
LTA4H P09960 8/20 0.38
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22291523 0.83 CHRM2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL29025239 0.83 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL7765958 0.80
SCHEMBL8239944 0.78 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL17399540 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL1766714 0.78
Hydrochloric Acid SCHEMBL8108272 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
Trimethylammonium SCHEMBL11601657 0.76 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL16244292 0.76 LMNA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL7769338 0.76 LMNA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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-109790152-A The diagnosis of neurotensin receptor associated disease treats and prevents 埃朗根-纽伦堡 弗里德里希-亚历山大大学 2019-05-21 CN disclosed