SCHEMBL5332230

SCHEMBL5332230

O=C1C2CC=CCC2C(=O)N1CCCCCN1CCc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.66
HTR1A P08908 4/20 0.66
DRD3 P35462 2/20 0.66
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL5330830 0.96 HTR7 (0.64) HTR7HTR1ADRD3
SCHEMBL5333504 0.85 HTR7 (0.63) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL5599556 0.81 HTR7 (0.73) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL5330476 0.80 ABCB1 (0.60)
SCHEMBL7983132 0.80 HTR7 (1.00) HTR7HTR1ADRD3
Hydrochloric Acid SCHEMBL5599424 0.80 DRD3 (0.74) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL5329808 0.79 HTR7 (0.53) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL7983795 0.77 HTR7 (0.94) HTR7HTR1ADRD3
SCHEMBL21168596 0.77 ALDH1A1 (0.61) HTR7HTR1A
SCHEMBL11836473 0.75 HTR7 (0.79) HTR7HTR1ADRD3

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