SCHEMBL21568522

SCHEMBL21568522

O=C(Cc1cccc(OCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.55
▸ ADRB1 P08588 7/20 0.55
▸ CHRM3 P20309 10/20 0.55

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
SCHEMBL21568523 1.00 ADRB2 (0.55) ADRB2ADRB1CHRM3
SCHEMBL18897332 0.93 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL21568588 0.93 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL21568527 0.92 ADRB2 (0.58) ADRB2ADRB1CHRM3
SCHEMBL21568526 0.92 ADRB2 (0.58) ADRB2ADRB1CHRM3
SCHEMBL21568569 0.90 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL21568568 0.90 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL21568554 0.89 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568566 0.89 ADRB2 (0.51) ADRB2ADRB1CHRM3
SCHEMBL21568564 0.89 ADRB2 (0.51) ADRB2ADRB1CHRM3

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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