SCHEMBL9006993

SCHEMBL9006993

COC(=O)COc1ccc2c(c1)C[C@H](NC(CO)c1cccc(Cl)c1)CC2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.60
ADRB1 P08588 6/20 0.60

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
SCHEMBL7744566 0.92 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL4672297 0.92 ADRB3 (0.68) ADRB3ADRB1
Hydrochloric Acid SCHEMBL5673890 0.91 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL9006798 0.85 ADRB3 (0.83) ADRB3ADRB1
SCHEMBL6441833 0.85 ADRB3 (0.83) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9317518 0.84 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL9513922 0.84 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL10529299 0.80 DRD3 (0.48) ADRB3ADRB1
SCHEMBL9295452 0.80 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL9513926 0.80 ADRB3 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP disclosed
EP-0403360-A2 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI (FR) 1990-12-19 EP disclosed