SCHEMBL23198101

SCHEMBL23198101

O=C(NCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(CNC2(C(=O)O)Cc3ccccc3[C@H]2C2CN3CCC2CC3)s1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.56
▸ CHRM3 P20309 17/20 0.56
▸ ADRB1 P08588 1/20 0.43

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
SCHEMBL23198107 0.86 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL18918487 0.82 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL18918491 0.82 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL23198076 0.82 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL23198044 0.81 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL18943485 0.81 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL23198077 0.80 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL18918505 0.79 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL18918502 0.79 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL23198105 0.79 ADRB2 (0.81) ADRB2CHRM3

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-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
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