SCHEMBL6682215

SCHEMBL6682215

O=C(O)c1ccccc1Oc1cccc(S(=O)(=O)c2ccc(CCCNC(Cc3ccccc3)[C@H](O)c3cccc(Cl)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.42
ADRB1 P08588 13/20 0.42
CCR2 P41597 2/20 0.39

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
SCHEMBL6675743 0.95 ADRB3 (0.43) ADRB3ADRB1CCR2
SCHEMBL6680789 0.90 ADRB3 (0.45) ADRB3ADRB1CCR2
SCHEMBL6677156 0.85 ADRB3 (0.41) ADRB3ADRB1CCR2
SCHEMBL6678492 0.85 ALDH1A1 (0.39) ADRB3ADRB1
SCHEMBL6692773 0.85 CTSD (0.38) ADRB3ADRB1
SCHEMBL6676287 0.85 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6681933 0.84 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6677803 0.84 ADRB3 (0.54) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6805366 0.84 ADRB3 (0.58) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6805359 0.84 ADRB3 (0.58) 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