SCHEMBL4484189

SCHEMBL4484189

CCC(C(=O)O)c1c(-c2ccccc2)sc2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.55
ADRA1A P35348 11/20 0.55
ADRB1 P08588 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4513399 0.86 ADRB3 (0.57) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4487262 0.84 ADRB3 (0.56) ADRB3ADRA1AADRB1DRD2DRD4
SCHEMBL1120890 0.84 ADRB3 (0.60) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4477328 0.83 ADRB3 (0.54) ADRB3ADRA1AADRB1DRD2DRD4
SCHEMBL1120805 0.82 ADRB3 (0.63) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL6907350 0.82 ADRB3 (0.66) ADRB3ADRA1AADRB1DRD2DRD4
SCHEMBL4486734 0.81 ADRB3 (0.59) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7110860 0.81 ADRB3 (0.65) ADRB3ADRA1AADRB1DRD2DRD4
SCHEMBL1120836 0.81 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL5195382 0.79 ADRB3 (0.67) ADRB3ADRA1AADRB1DRD2DRD4

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
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed