SCHEMBL29631285

SCHEMBL29631285

CC(C)(C)OC(=O)N(CC1CCN(Cc2ccccc2)CC1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ ACHE P22303 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL18016239 1.00 ADRB2 (0.38) ADRB2CHRM3ACHEMAOAMAOB
SCHEMBL17978750 0.93 ADRB2 (0.40) ADRB2CHRM3ACHEMAOAMAOB
SCHEMBL17985970 0.84 ADRB2 (0.43) ADRB2CHRM3ACHEMAOAMAOB
SCHEMBL17985969 0.84 ADRB2 (0.43) ADRB2CHRM3ACHEMAOAMAOB
SCHEMBL15772032 0.83 ADRB2 (0.34) ADRB2
SCHEMBL15772034 0.83 ADRB2 (0.34) ADRB2
SCHEMBL17978841 0.82 HDAC3 (0.40) ADRB2
SCHEMBL18016237 0.82 ADRB2 (0.36) ADRB2
SCHEMBL18269503 0.82 L3MBTL1 (0.34) ADRB2
SCHEMBL17979063 0.82 HDAC3 (0.40) ADRB2

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
Send feedback