SCHEMBL13637616

SCHEMBL13637616

CNC(=O)OCCC(C)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.63
CHRNA4 P43681 7/20 0.63
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55
NFKB1 P19838 1/20 0.55
CHRM3 P20309 1/20 0.55
MAPK1 P28482 1/20 0.55
CHRNA7 P36544 1/20 0.55
LMNA P02545 1/20 0.53
APEX1 P27695 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.48
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20718324 0.84 CHRNB2 (0.66) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL27569929 0.84 CHRNB2 (0.60) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19900413 0.81 CHRNB2 (0.61) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16541245 0.78 CHRNB2 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL28346727 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL7955264 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21602806 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL27575274 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL23926234 0.77 MGAM (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10411483 0.77 ALDH1A1 (0.40) CHRNB2CHRNA4MAPK1SMN1; SMN2CHRNB4

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-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed