SCHEMBL21568540

SCHEMBL21568540

O=C(c1ccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.69
▸ CHRM3 P20309 5/20 0.69
▸ ADRB1 P08588 11/20 0.57
▸ ADRB3 P13945 7/20 0.57
▸ CHRM2 P08172 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
SCHEMBL21568541 1.00 ADRB2 (0.69) ADRB2CHRM3ADRB1ADRB3CHRM2
SCHEMBL21568646 0.94 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568647 0.94 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568572 0.93 ADRB2 (0.79) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568570 0.93 ADRB2 (0.79) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18259854 0.89 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL28338811 0.89 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL18259856 0.89 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL21568561 0.89 ADRB2 (0.64) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568624 0.89 ADRB2 (0.64) 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-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP claimed
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