SCHEMBL6677324

SCHEMBL6677324

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(Oc3cccc(C(=O)O)c3)cc2)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.55
LPAR1 Q92633 3/20 0.47
LPAR5 Q9H1C0 2/20 0.47
ADRB1 P08588 9/20 0.46

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
SCHEMBL6805016 0.93 ADRB3 (0.47) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6682294 0.93 ADRB3 (0.47) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6540282 0.91 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6540274 0.91 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6806565 0.91 ADRB3 (0.45) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6680864 0.91 ADRB3 (0.45) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6541170 0.91 ADRB3 (0.46) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6541176 0.91 ADRB3 (0.46) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6804154 0.89 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6677354 0.88 ADRB3 (0.50) ADRB3LPAR1LPAR5ADRB1

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed