SCHEMBL9580334

SCHEMBL9580334

COOc1ccc(OOC)c2c1CC(N)C2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.69
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
ACHE P22303 3/20 0.33
MAOA P21397 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL867845 0.82 ADRA1A (1.00) ADRA1ADRD2DRD3ACHEMAOA
Hydrochloric Acid SCHEMBL10447053 0.80 ADRA1A (0.95) ADRA1ADRD2DRD3ACHEMAOA
SCHEMBL31143007 0.72 ADRA1A (0.78) ADRA1ADRD2DRD3ACHEMAOA
SCHEMBL24734855 0.69 ADRA1A (1.00) ADRA1ADRD2DRD3HTR1DHTR1B
Hydrochloric Acid SCHEMBL8669188 0.68 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
Bromide SCHEMBL25243558 0.68 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
Hydrochloric Acid SCHEMBL30861222 0.68 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL24650805 0.67 ADRA1A (0.68) ADRA1ADRD2DRD3ACHE
SCHEMBL8542873 0.67 ADRA1A (0.63) ADRA1ADRD2DRD3ACHE
SCHEMBL24650787 0.66 ADRA1A (0.66) ADRA1ADRD2DRD3

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
JP-5201978-A None JP disclosed
JP-H05201978-A N-(4,7-DIMETHOXY-2-INDANYL)-1-(PHENYLCARBONYL)-N-PROPYL-4-PIRERIDINE METHANEAMINE DERIVATIVE, ITS PREPARATION AND ITS APPLICATION TO PHARMACEUTICALS SYNTHELABO SA 1993-08-10 JP disclosed