SCHEMBL28293537

SCHEMBL28293537

CN(CCCN=[N+]=[N-])CCCOC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33
LTA4H P09960 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31

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
SCHEMBL18876588 0.83 LMNA (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL28990999 0.81 LMNA (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL13736933 0.80 PRSS1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL28295317 0.79 CYP1A2 (0.33) LMNA
SCHEMBL28295313 0.79 CYP1A2 (0.33) LMNA
SCHEMBL29025239 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL22291523 0.76 CHRM2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL28515855 0.76 PRSS1 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL15468776 0.75
SCHEMBL28293534 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A

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