SCHEMBL24404575

SCHEMBL24404575

O=C(COc1cccc(C(C(=O)OCC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1)NCCNC(=O)c1ccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.65
▸ CHRM3 P20309 19/20 0.65
▸ ADRB1 P08588 1/20 0.51
▸ ADRB3 P13945 1/20 0.51

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
SCHEMBL18557670 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18557689 0.98 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL24404572 0.98 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL24404546 0.95 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL18813935 0.93 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL18557743 0.92 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL24404571 0.92 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL18812664 0.92 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL18813964 0.92 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL18557700 0.91 ADRB2 (0.69) 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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