SCHEMBL8829602

SCHEMBL8829602

Oc1ccc2c(c1)C[C@@H](NCC(O)c1cccc(Cl)c1)CC2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.70
ADRB1 P08588 2/20 0.69

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
SCHEMBL3697691 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL9483243 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL6133378 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL9006797 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL5188566 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL9006647 1.00 ADRB3 (0.70) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9317513 0.99 ADRB3 (0.69) ADRB3ADRB1
Hydrochloric Acid SCHEMBL10799438 0.99 ADRB3 (0.69) ADRB3ADRB1
Bromide SCHEMBL10800802 0.99 ADRB3 (0.69) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9316504 0.99 ADRB3 (0.69) 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-0626367-B1 (7S)-7-(1R)-2-(3-chlorophenyl)-2-hydroethylamino-5,6,7,8-tetrahydronaphtalen-2-yloxy acetic acid, their pharmaceutically acceptable salts with a beta-3-adrenergic agonist activity and pharmaceutical compositions containing them SANOFI SA (FR) 1997-04-09 EP disclosed
EP-0626367-A1 (7S)-7-(1R)-2-(3-chlorophenyl)-2-hydroethylamino-5,6,7,8-tetrahydronaphtalen-2-yloxy acetic acid, their pharmaceutically acceptable salts with a beta-3-adrenergic agonist activity and pharmaceutical compositions containing them SANOFI (FR) 1994-11-30 EP disclosed