SCHEMBL17074646

SCHEMBL17074646

O=C(O)N(Cc1cccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.63
▸ ADRB1 P08588 11/20 0.63
▸ CHRM3 P20309 7/20 0.56

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
SCHEMBL17074640 1.00 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL17074635 1.00 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL17074692 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL14166338 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL14166064 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL17074643 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL17074656 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL14166233 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL17074655 0.96 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL14165987 0.96 ADRB2 (0.64) 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-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP disclosed
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