SCHEMBL8767307

SCHEMBL8767307

CCOC(=O)COc1ccc2c(c1)C[C@@H](NC(CC)[C@@H](O)c1cccc(Cl)c1)CC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.67
ADRB1 P08588 2/20 0.57

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
SCHEMBL8767311 1.00 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL8767316 1.00 ADRB3 (0.67) ADRB3ADRB1
Oxalic Acid SCHEMBL8767511 0.98 ADRB3 (0.65) ADRB3ADRB1
Oxalic Acid SCHEMBL8767525 0.98 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL8767518 0.90 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL7744566 0.87 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL4672297 0.87 ADRB3 (0.68) ADRB3ADRB1
Hydrochloric Acid SCHEMBL5673890 0.87 ADRB3 (0.67) ADRB3ADRB1
Amibegron SCHEMBL5200899 0.85 ADRB3 (0.91) ADRB3ADRB1
Amibegron SCHEMBL3824162 0.85 ADRB3 (0.91) ADRB3ADRB1

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-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed