SCHEMBL5592369

SCHEMBL5592369

O=C(NC1C2CN(CCCN3C(=O)CCCC3=O)CC21)C1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
DRD2 P14416 7/20 0.35
DRD3 P35462 5/20 0.35
HTR2A P28223 4/20 0.35
HTR1A P08908 3/20 0.35
GLS O94925 2/20 0.35
DRD4 P21917 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33

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
Hydrochloric Acid SCHEMBL5599207 0.99 HPGD (0.35) HPGDDRD2DRD3HTR2AHTR1A
SCHEMBL5330305 0.83 ATM (0.42) HPGDDRD2DRD3HTR2AHTR1A
SCHEMBL5815641 0.72 RAB9A (0.47) HPGDALDH1A1NPC1RAB9A
SCHEMBL5592226 0.72 HTR1A (0.43) DRD2DRD3HTR1ADRD4SMN1; SMN2
SCHEMBL5592381 0.67 CHRM1 (0.44) ALDH1A1
SCHEMBL5592133 0.65 CHRM1 (0.52) DRD2HTR2AALDH1A1
SCHEMBL5592138 0.60 MEN1 (0.47) SMN1; SMN2ALDH1A1TP53TSHRPOLB
SCHEMBL18924415 0.60 ALDH1A1 (0.51) HPGDSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL18389931 0.60 SMN1; SMN2 (0.50) HPGDDRD2DRD3HTR2AHTR1A
Hydrochloric Acid SCHEMBL5592211 0.59 MEN1 (0.46) SMN1; SMN2ALDH1A1TP53TSHRPOLB

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