SCHEMBL2847307

SCHEMBL2847307

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)o1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.84
ADRB2 P07550 19/20 0.84

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
SCHEMBL2847298 1.00 CHRM3 (0.84) CHRM3ADRB2
SCHEMBL2847312 1.00 CHRM3 (0.84) CHRM3ADRB2
SCHEMBL2846971 0.89 CHRM3 (0.88) CHRM3ADRB2
SCHEMBL2839323 0.89 CHRM3 (0.80) CHRM3ADRB2
SCHEMBL5652887 0.88 ADRB2 (0.75) CHRM3ADRB2
SCHEMBL2847315 0.88 ADRB2 (0.75) CHRM3ADRB2
SCHEMBL5652874 0.88 ADRB2 (0.75) CHRM3ADRB2
SCHEMBL2846807 0.87 ADRB2 (0.78) CHRM3ADRB2
SCHEMBL2846796 0.87 ADRB2 (0.78) CHRM3ADRB2
SCHEMBL2846802 0.87 ADRB2 (0.78) CHRM3ADRB2

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-2246345-A1 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance Inc (US) 2010-11-03 EP disclosed