SCHEMBL29631356

SCHEMBL29631356

COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1C(=O)N1CC(NC(=O)COc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.73
▸ CHRM3 P20309 20/20 0.73

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
SCHEMBL17986031 1.00 ADRB2 (0.73) ADRB2CHRM3
SCHEMBL20307365 1.00 ADRB2 (0.73) ADRB2CHRM3
SCHEMBL20307288 0.93 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL17986130 0.93 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL17986132 0.93 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL17978940 0.93 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL20307329 0.92 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL29631330 0.92 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL18017281 0.92 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL29631424 0.91 ADRB2 (0.77) ADRB2CHRM3

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