SCHEMBL8765794

SCHEMBL8765794

COc1ccc2c(c1)C[C@@H](N)CCC2

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.82
DRD3 P35462 7/20 0.82
KDM1A O60341 1/20 0.51
ACHE P22303 4/20 0.51
DRD4 P21917 3/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ADRA1A P35348 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP19A1 P11511 1/20 0.47
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL8765903 1.00 DRD2 (0.82) DRD2DRD3KDM1AACHEDRD4
SCHEMBL5144002 1.00 DRD2 (0.82) DRD2DRD3KDM1AACHEDRD4
Hydrochloric Acid SCHEMBL8765573 0.98 DRD2 (0.79) DRD2DRD3KDM1AACHEDRD4
Hydrochloric Acid SCHEMBL8765567 0.98 DRD2 (0.79) DRD2DRD3KDM1AACHEDRD4
Hydrochloric Acid SCHEMBL8765944 0.98 DRD2 (0.79) DRD2DRD3KDM1AACHEDRD4
SCHEMBL5678226 0.94 DRD2 (0.71) DRD2DRD3KDM1AACHEDRD4
SCHEMBL267102 0.90 DRD2 (1.00) DRD2DRD3ACHEDRD4MTNR1A
SCHEMBL268141 0.90 DRD2 (1.00) DRD2DRD3ACHEDRD4MTNR1A
SCHEMBL354006 0.90 DRD2 (1.00) DRD2DRD3ACHEDRD4MTNR1A
Hydrochloric Acid SCHEMBL3001108 0.89 DRD2 (0.97) DRD2DRD3ACHEDRD4MTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed