SCHEMBL14166602

SCHEMBL14166602

CC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.65
CHRM3 P20309 12/20 0.65
ADRB1 P08588 7/20 0.59

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
SCHEMBL14166297 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL17060698 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166422 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL17060701 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166186 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166714 0.91 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL17060699 0.91 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166420 0.91 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166296 0.91 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL14166185 0.91 ADRB2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP claimed
EP-2718281-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
WO-2012168349-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed