SCHEMBL7329471

SCHEMBL7329471

CN(CCCc1ccoc1)C1CCc2c(N)cccc2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.40
GRIN1 Q05586 2/20 0.40
DRD2 P14416 3/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38

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
SCHEMBL7328341 0.97 GRIN2B (0.41) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7328585 0.96 DRD2 (0.41) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7325663 0.94 DRD2 (0.42) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7329557 0.88 DRD2 (0.47) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7332957 0.87 HTR1A (0.40) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7327607 0.85 GRIN2B (0.54) GRIN2BGRIN1DRD2DRD1DRD3
SCHEMBL7330395 0.85 DRD2 (0.47) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7328110 0.84 DRD2 (0.48) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7327614 0.83 DRD2 (0.50) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL7335408 0.83 DRD2 (0.54) DRD2DRD1DRD3HTR1AHTR7

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
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed