SCHEMBL7327286

SCHEMBL7327286

CN(CCCCCc1cccnc1)C1CCc2c(N)cccc2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.48
GRIN1 Q05586 2/20 0.48
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
HRH1 P35367 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7329980 0.99 GRIN2B (0.49) GRIN2BGRIN1DRD2DRD3HRH1
SCHEMBL7335055 0.96 GRIN2B (0.48) GRIN2BGRIN1DRD2DRD3KDM4E
SCHEMBL7333382 0.92 CHRNA7 (0.45) GRIN2BGRIN1DRD2DRD3KDM4E
SCHEMBL7329812 0.89 GRIN2B (0.48) GRIN2BGRIN1DRD2DRD3
SCHEMBL7327483 0.88 DRD2 (0.48) GRIN2BDRD2DRD3
SCHEMBL7328536 0.88 GRIN2B (0.49) GRIN2BGRIN1DRD2DRD3
SCHEMBL7327800 0.87 GRIN2B (0.54) GRIN2BGRIN1DRD2DRD3
SCHEMBL7325082 0.87 DRD2 (0.46) GRIN2BDRD2DRD3
SCHEMBL7329005 0.86 GRIN2B (0.55) GRIN2BGRIN1DRD2DRD3
SCHEMBL7324986 0.85 KDM4E (0.55) DRD2DRD3KDM4EALDH1A1

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