SCHEMBL5592133

SCHEMBL5592133

O=C(O)NC1CCN(CCCN2C(=O)CCCC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.52
ALDH1A1 P00352 1/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL5592142 0.84 ADRA1D (0.65) CHRM1ALDH1A1ADRA1AADRA1BMCHR1
SCHEMBL5592381 0.81 CHRM1 (0.44) CHRM1ALDH1A1
SCHEMBL16795225 0.81 MAPK1 (0.50) ALDH1A1ADRA1AADRA1B
SCHEMBL3462094 0.76 ADRA1D (0.47) ALDH1A1ADRA1AADRA1B
SCHEMBL5592308 0.74 HTR7 (0.41) CHRM1CHRM2CHRM4CHRM5DRD2
Hydrochloric Acid SCHEMBL5592380 0.73 HTR7 (0.40) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL1921058 0.72 KMT2A (0.47) ADRA1AADRA1B
SCHEMBL16446567 0.71 SIGMAR1 (0.44) ADRA1AADRA1B
SCHEMBL19924787 0.71 SIGMAR1 (0.44) CHRM3ADRA1AADRA1B
SCHEMBL4437678 0.71 SIGMAR1 (0.44) ALDH1A1DRD2ADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed