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SCHEMBL29631345

SCHEMBL29631345

CC(C)(C)OC(=O)N(CC1CCN(C(=O)C2CN(C(=O)OCc3ccccc3)C2)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 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ CHRM3 P20309 7/20 0.34
▸ GRIN2B Q13224 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ PARP2 Q9UGN5 2/20 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
SCHEMBL18016297 1.00 ADRB2 (0.35) ADRB2ADRB1CHRM3GRIN2BCYP3A4
SCHEMBL28439475 1.00 ADRB2 (0.35) ADRB2ADRB1CHRM3GRIN2BCYP3A4
SCHEMBL17979218 0.91 ADRB2 (0.34) ADRB2ADRB1CHRM3
SCHEMBL29631279 0.86 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL18813800 0.80 ADRB2 (0.53) ADRB2CHRM3
SCHEMBL18016238 0.80 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL29631285 0.79 ADRB2 (0.38) ADRB2CHRM3
SCHEMBL18016239 0.79 ADRB2 (0.38) ADRB2CHRM3
SCHEMBL19770139 0.73 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL17978747 0.73 ADRB2 (0.41) ADRB2ADRB1

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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