SCHEMBL5592292

SCHEMBL5592292

CC(C)Oc1ccc(F)cc1N1CCN(CCCCCN2C(=O)CCC2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR7 P34969 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRA1B P35368 7/20 0.49
ADRA1A P35348 6/20 0.49
ADRA1D P25100 5/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
DRD2 P14416 1/20 0.47

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 SCHEMBL5592204 0.99 HTR1A (0.55) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5592245 0.96 HTR1A (0.52) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5592123 0.95 ADRA1B (0.51) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5592258 0.88 HTR7 (0.73) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6072734 0.87 ADRA1B (0.43) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5592140 0.87 HTR7 (0.71) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5592230 0.87 HTR1A (0.74) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6073167 0.86 ADRA1B (0.43) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5592137 0.86 HTR1A (0.57) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6072742 0.86 ADRA1B (0.44) HTR1AMEN1CYP1A2CYP2C9CYP2C19

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