SCHEMBL5592142

SCHEMBL5592142

O=C(NC1CCN(CCCN2C(=O)CCCC2=O)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
CARM1 Q86X55 1/20 0.61
PRMT6 Q96LA8 1/20 0.61
CHRM1 P11229 5/20 0.59
POLB P06746 1/20 0.55
MCHR1 Q99705 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
SLC6A12 P48065 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL5592133 0.84 CHRM1 (0.52) ADRA1AADRA1BCHRM1MCHR1ALDH1A1
SCHEMBL5592226 0.82 HTR1A (0.43) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL11617045 0.81 ADRA1D (0.76) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL11938908 0.80 ADRA1D (0.74) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL5179385 0.80 ADRA1D (0.74) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL6663300 0.79 ADRA1D (1.00) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL11618865 0.79 CARM1 (0.75) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL11103818 0.77 CARM1 (0.73) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL11932480 0.77 ADRA1D (0.70) ADRA1DADRA1AADRA1BCARM1PRMT6
SCHEMBL10696163 0.77 ADRA1D (0.70) ADRA1DADRA1AADRA1BCARM1PRMT6

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