SCHEMBL7335448

SCHEMBL7335448

CCCN(CCC)C1CCc2c(cccc2C(C)=O)C1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.68
DRD3 P35462 4/20 0.68
DRD4 P21917 3/20 0.68
HTR1A P08908 1/20 0.68
DRD1 P21728 1/20 0.68
DRD5 P21918 1/20 0.68
HTR7 P34969 1/20 0.68
ADRB2 P07550 1/20 0.68

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
SCHEMBL7763436 0.90 HTR1A (0.68) DRD2DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL8822572 0.89 HTR1A (0.67) DRD2DRD3HTR1AHTR7
SCHEMBL7335087 0.81 DRD2 (0.64) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7330393 0.81 DRD2 (0.64) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7327260 0.81 DRD2 (0.64) DRD2DRD3DRD4HTR1ADRD1
5-Oh-Dpat SCHEMBL17446178 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
5-Oh-Dpat SCHEMBL279021 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
5-Oh-Dpat SCHEMBL29420186 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
5-Oh-Dpat SCHEMBL5705486 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
5-Oh-Dpat SCHEMBL30201073 0.81 DRD2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US disclosed
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed