SCHEMBL5592209

SCHEMBL5592209

CCCOc1ccc(F)cc1N1CCN(CCCCCN2C(=O)CCCC2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.51
HTR7 P34969 4/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRA1B P35368 4/20 0.48
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NLRP1 Q9C000 1/20 0.44
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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 SCHEMBL5592289 0.99 ADRA1B (0.50) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL4516386 0.97 ADRA1B (0.50) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4524800 0.96 ADRA1B (0.49) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5592159 0.88 HTR1A (0.67) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5592137 0.88 HTR1A (0.57) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5592208 0.87 HTR1A (0.65) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL6072922 0.85 DRD2 (0.44) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5592245 0.85 HTR1A (0.52) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL6072866 0.85 DRD2 (0.44) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5592123 0.84 ADRA1B (0.51) HTR1AHTR7MEN1CYP1A2CYP2C9

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