SCHEMBL5330830

SCHEMBL5330830

O=C1C2CC=CCC2C(=O)N1CCCN1CCc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.64
HTR1A P08908 6/20 0.64
DRD3 P35462 4/20 0.64
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HRH1 P35367 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.49

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
SCHEMBL5332230 0.96 HTR7 (0.66) HTR7HTR1ADRD3
SCHEMBL5333504 0.81 HTR7 (0.63) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL7983795 0.81 HTR7 (0.94) HTR7HTR1ADRD3
SCHEMBL5335396 0.78 HTR7 (0.51) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL5599281 0.78 HTR7 (0.69) HTR7HTR1ADRD3
SCHEMBL7983132 0.78 HTR7 (1.00) HTR7HTR1ADRD3
SCHEMBL5599556 0.76 HTR7 (0.73) HTR7HTR1ADRD3
SCHEMBL5330476 0.76 ABCB1 (0.60)
Hydrochloric Acid SCHEMBL5599424 0.75 DRD3 (0.74) HTR7HTR1ADRD3
SCHEMBL6475395 0.75 HTR1A (0.67) 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 1 patent. 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 disclosed