SCHEMBL6676287

SCHEMBL6676287

O=C(O)c1cccc(Oc2cccc(S(=O)(=O)c3ccc(CCNC(Cc4ccccc4)[C@H](O)c4cccc(Cl)c4)cc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.55
ADRB1 P08588 10/20 0.50
AKR1C3 P42330 3/20 0.45
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41

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
SCHEMBL6677803 0.94 ADRB3 (0.54) ADRB3ADRB1AKR1C3LPAR1LPAR5
SCHEMBL6675743 0.89 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL6681933 0.87 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6679660 0.85 CTSD (0.40) ADRB3ADRB1
SCHEMBL6682215 0.85 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6679483 0.84 SLC2A1 (0.39) ADRB3ADRB1
SCHEMBL6679282 0.84 SLC2A1 (0.39) ADRB3ADRB1
SCHEMBL6680789 0.83 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6680801 0.83 ADRB3 (0.46) ADRB3ADRB1LPAR1LPAR5
SCHEMBL6677020 0.83 ADRB3 (0.80) 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed