SCHEMBL7329385

SCHEMBL7329385

CN(c1ccsc1)C1CCc2c(N)cccc2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.43
HTR7 P34969 16/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 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
SCHEMBL7326249 0.80 DRD2 (0.49) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7329067 0.80 DRD2 (0.43) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7329228 0.79 HTR1A (0.52) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7330353 0.78 DRD2 (0.53) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7336161 0.78 DRD2 (0.63) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7334552 0.78 DRD2 (0.58) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7330680 0.78 HTR1A (0.43) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7334834 0.77 DRD2 (0.61) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4210760 0.77 DRD2 (0.61) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7329678 0.77 HTR1A (0.42) HTR1AHTR7DRD2DRD4DRD3

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