SCHEMBL7328990

SCHEMBL7328990

CCN(CCCCc1ccco1)C1CCc2c(N)cccc2C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.52
DRD3 P35462 10/20 0.47
DRD4 P21917 3/20 0.45
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HTR7 P34969 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL7330941 0.99 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7335572 0.97 DRD2 (0.52) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7329530 0.93 DRD2 (0.54) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7336408 0.88 DRD2 (0.46) DRD2DRD3HTR1AHTR7
SCHEMBL7326698 0.87 DRD2 (0.46) DRD2DRD3HTR1AHTR7
SCHEMBL7334689 0.86 DRD2 (0.61) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7328017 0.84 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7337152 0.83 GRIN2B (0.55) DRD2DRD3DRD4DRD1
SCHEMBL7330395 0.83 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7327545 0.82 DRD2 (0.62) DRD2DRD3DRD4HTR1ADRD1

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