SCHEMBL28446409

SCHEMBL28446409

[CH2]C(C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.38
ADRB1 P08588 7/20 0.36
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18016231 0.84 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL14617522 0.83 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL384325 0.83 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL776314 0.83 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL3586934 0.83 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28880252 0.83 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28434009 0.83 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28897305 0.83 ADRB2 (0.36) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17979457 0.82 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17979458 0.82 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4

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
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 CN disclosed