SCHEMBL5592286

SCHEMBL5592286

COc1ccccc1C1(O)C2CCC1CN(CCCN1C(=O)CCC1=O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR7 P34969 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRA1D P25100 7/20 0.45
ADRA1A P35348 7/20 0.45
ADRA1B P35368 7/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A1 P30531 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A11 P48066 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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 SCHEMBL5592275 0.99 MEN1 (0.49) MEN1CYP1A2HTR1ACYP2C9CYP2C19
SCHEMBL5592253 0.96 HTR1A (0.46) MEN1CYP1A2HTR1ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5592288 0.95 HTR1A (0.45) MEN1CYP1A2HTR1ACYP2C9CYP2C19
SCHEMBL5329926 0.85 USP2 (0.48) MEN1CYP1A2HTR1ACYP2C19HTR7
SCHEMBL5810111 0.82 KDM1A (0.51) MEN1HTR1AKMT2AADRA1ADRD2
Hydrochloric Acid SCHEMBL5805233 0.81 KDM1A (0.50) MEN1HTR1AKMT2AADRA1ADRD2
SCHEMBL5592141 0.80 SLC6A1 (0.65) MEN1CYP1A2HTR1ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5592234 0.79 SLC6A1 (0.64) MEN1CYP1A2HTR1ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5818499 0.76 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL5592122 0.76 SLC6A1 (0.63) MEN1CYP1A2HTR1ACYP2C9CYP2C19

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