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Sugi Predict / Compounds / SCHEMBL24404603

SCHEMBL24404603

SCHEMBL24404603

C/C=C\c1c(C(O)CNCc2ccc(C(=O)N3CCC4(CCN(C(=O)COc5cccc(C(C(=O)OCC6CCN(Cc7ccccc7)CC6)c6ccccc6)c5)CC4)CC3)cc2)ccc(O)c1NC=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.47
▸ CHRM3 P20309 20/20 0.47

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
SCHEMBL18557735 0.85 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL22839873 0.82 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL18557793 0.81 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL19784370 0.78 ADRB2 (0.50) ADRB2CHRM3
SCHEMBL24404548 0.78 ADRB2 (0.52) ADRB2CHRM3
SCHEMBL18557628 0.78 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL24404519 0.78 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL18557665 0.78 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL24404511 0.78 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL18557618 0.78 ADRB2 (0.60) 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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
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