SCHEMBL7327507

SCHEMBL7327507

CN(CCc1cc2ccccc2[nH]1)C1CCc2c(N)cccc2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 4/20 0.40
HTR1A P08908 3/20 0.40
BCHE P06276 1/20 0.38
HRH3 Q9Y5N1 3/20 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
SCHEMBL7328262 0.94 BCHE (0.43) CHRNA7DRD2DRD3HTR7HTR1A
SCHEMBL7330583 0.93 BCHE (0.41) CHRNA7DRD2DRD3HTR7HTR1A
SCHEMBL7334570 0.92 BCHE (0.40) CHRNA7DRD2DRD3BCHE
SCHEMBL7328342 0.90 HTR1A (0.41) CHRNA7DRD2DRD3HTR7HTR1A
SCHEMBL7326539 0.88 DRD2 (0.44) DRD2DRD3HTR7HTR1A
SCHEMBL7327193 0.84 BCHE (0.44) DRD2DRD3HTR7BCHE
SCHEMBL7331942 0.84 DRD2 (0.43) DRD2DRD3HTR7BCHE
SCHEMBL7327537 0.83 DRD2 (0.45) DRD2DRD3HTR7BCHE
SCHEMBL7327744 0.82 DRD2 (0.45) DRD2DRD3HTR7HTR1A
SCHEMBL7328242 0.80 HTR7 (0.43) DRD2DRD3HTR7HTR1A

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