SCHEMBL24404523

SCHEMBL24404523

O=C(NCC(=O)N1CCC(COc2cccc(C(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)CC1)c1ccc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.66
▸ CHRM3 P20309 18/20 0.66

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
SCHEMBL18812181 1.00 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL18557776 0.93 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL24404552 0.93 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL18813973 0.92 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL18813972 0.91 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL18557750 0.91 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18557678 0.91 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL24404450 0.90 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL18557732 0.90 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL18557641 0.90 ADRB2 (0.79) 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
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