SCHEMBL27936172

SCHEMBL27936172

O=c1ccc2c([C@@H](O)CNCCc3ccc(COc4c[c]ccc4)cc3)ccc(O)c2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.63
▸ ADRB1 P08588 16/20 0.61
▸ ADRB3 P13945 6/20 0.60
▸ CHRM2 P08172 1/20 0.58
▸ DRD2 P14416 2/20 0.56
▸ DRD1 P21728 2/20 0.56
▸ DRD4 P21917 2/20 0.56
▸ DRD3 P35462 2/20 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
SCHEMBL27950356 0.93 ADRB2 (0.62) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28807376 0.86 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL15777969 0.83 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL17074669 0.82 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL17074668 0.82 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL16205030 0.80 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL16205035 0.80 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL16205033 0.80 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL16205032 0.79 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL17074689 0.79 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM2

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
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 — — CN claimed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 — — CN disclosed
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