SCHEMBL16205087

SCHEMBL16205087

Cc1ccc(C(NC(=O)O)c2cccc(OCCCCCCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.67
▸ CHRM3 P20309 15/20 0.67
▸ ADRB1 P08588 4/20 0.60
▸ CACNA1C Q13936 1/20 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
SCHEMBL16205090 1.00 ADRB2 (0.67) ADRB2CHRM3ADRB1CACNA1C
SCHEMBL16205089 1.00 ADRB2 (0.67) ADRB2CHRM3ADRB1CACNA1C
SCHEMBL14166089 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL16204965 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL17074696 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL14166091 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL14694679 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL14166120 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL16205167 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1
SCHEMBL17074694 0.95 ADRB2 (0.73) ADRB2CHRM3ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 — — US claimed
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