SCHEMBL5335396

SCHEMBL5335396

C1=CCC2CN(CCCN3CCc4ccccc4C3)CC2C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.51
HTR1A P08908 4/20 0.51
DRD3 P35462 4/20 0.51
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
HRH1 P35367 3/20 0.50
HTR2B P41595 3/20 0.50
SLC6A4 P31645 2/20 0.50
HTR5A P47898 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL5329808 0.96 HTR7 (0.53) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL5330830 0.78 HTR7 (0.64) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL30296953 0.74 ALDH1A1 (0.64) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL30305062 0.74 HTR1A (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL29142480 0.74 MEN1 (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL2795026 0.74 HTR7 (0.63) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL13487703 0.74 HTR7 (0.63) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL1828054 0.74 HTR1A (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL155413 0.74 ALDH1A1 (0.64) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL96852 0.74 HTR7 (0.59) HTR7HTR1ADRD3DRD2HTR2A

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-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed