SCHEMBL7109130

SCHEMBL7109130

COC1c2cc(C(=O)O)ccc2CC[C@@H]1NC[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.56
ADRB1 P08588 10/20 0.54

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
Oxalic Acid SCHEMBL9258842 0.76 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL6751756 0.74 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL9133825 0.73 ADRB3 (0.49) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133539 0.73 ADRB3 (0.76) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133538 0.73 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL18979237 0.72 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6134881 0.72 ADRB3 (0.79) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6134885 0.72 ADRB3 (0.79) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133635 0.72 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133637 0.72 ADRB3 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121108-B1 NOVEL THERAPEUTIC USE OF COMPOUNDS WITH BETA-3-AGONIST ACTIVITY SANOFI SYNTHELABO (FR) 2003-04-02 EP disclosed
EP-1121108-A2 NOVEL THERAPEUTIC USE OF COMPOUNDS WITH BETA-3-AGONIST ACTIVITY SANOFI-SYNTHELABO (FR) 2001-08-08 EP disclosed
WO-2000021508-A2 NOVEL THERAPEUTIC USE OF COMPOUNDS WITH BETA-3-AGONIST ACTIVITY SANOFI-SYNTHELABO (FR) 2000-04-20 WO disclosed