SCHEMBL23223746

SCHEMBL23223746

CC1(NCc2ccc(C(=O)NCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)s2)CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.68
▸ CHRM3 P20309 3/20 0.68
▸ ADRB1 P08588 14/20 0.49

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
SCHEMBL18943477 0.91 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL23198121 0.91 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL23198044 0.87 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL18943485 0.87 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL18918505 0.84 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL18918502 0.84 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL23198105 0.84 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL18918524 0.83 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL18918573 0.83 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL18918543 0.82 ADRB2 (0.84) 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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