SCHEMBL9315535

SCHEMBL9315535

COc1cccc2c1CCCC(N)C2

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.82
DRD3 P35462 7/20 0.82
ADRA1A P35348 2/20 0.67
DRD4 P21917 6/20 0.56
CHRM2 P08172 3/20 0.55
CHRM1 P11229 3/20 0.55
CHRM3 P20309 3/20 0.55
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL895742 0.90 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL43366 0.90 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL29429678 0.90 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL895845 0.90 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL29547385 0.90 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL3468007 0.89 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL31672141 0.89 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL6824058 0.89 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL6824054 0.89 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL4210081 0.82 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1

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-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed