SCHEMBL23198043

SCHEMBL23198043

O=C(NC1(C(=O)O)CCc2ccccc21)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.63
▸ CHRM3 P20309 11/20 0.63
▸ ADRB1 P08588 7/20 0.55
▸ ADRB3 P13945 1/20 0.49

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
SCHEMBL23198066 1.00 ADRB2 (0.63) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18920924 1.00 ADRB2 (0.63) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23198068 1.00 ADRB2 (0.63) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23198059 0.99 ADRB2 (0.64) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18920932 0.99 ADRB2 (0.64) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23198117 0.91 ADRB2 (0.53) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23198118 0.91 ADRB2 (0.53) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23223721 0.90 ADRB2 (0.58) ADRB2CHRM3ADRB1ADRB3
SCHEMBL23198125 0.90 ADRB2 (0.74) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18920935 0.90 ADRB2 (0.74) ADRB2CHRM3ADRB1ADRB3

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-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP claimed
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