SCHEMBL29631279

SCHEMBL29631279

CC(C)(C)OC(=O)N(CC1CCN(C(=O)C2CNC2)CC1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.35
▸ ADRB1 P08588 10/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ DRD3 P35462 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SRSF6 Q13247 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL18016296 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3DRD3SLC6A2
SCHEMBL17985903 0.92 ADRB2 (0.36) ADRB2ADRB1
SCHEMBL17985904 0.92 ADRB2 (0.36) ADRB2ADRB1
SCHEMBL17979218 0.92 ADRB2 (0.34) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL17979215 0.92 ADRB2 (0.34) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL18016238 0.87 ADRB2 (0.39) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL28439475 0.86 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL29631345 0.86 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL18016297 0.86 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL18016310 0.85 ADRB2 (0.33) ADRB2ADRB1DRD3SLC6A2ADRA1D

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
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
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