SCHEMBL6553036

SCHEMBL6553036

O=S(=O)(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.65
ADRB1 P08588 10/20 0.60

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
Hydrochloric Acid SCHEMBL6540175 0.99 ADRB3 (0.64) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540618 0.95 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL6677785 0.90 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6677781 0.90 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6677020 0.87 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6677016 0.87 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6800132 0.87 ADRB3 (0.64) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541326 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6553038 0.86 ADRB3 (0.46) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541380 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed