SCHEMBL21573579

SCHEMBL21573579

CC1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)NCc3ccc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.61
▸ CHRM3 P20309 15/20 0.61
▸ ADRB1 P08588 2/20 0.48
▸ ADRB3 P13945 1/20 0.48

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
SCHEMBL21568534 0.92 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568535 0.92 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21573506 0.91 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL21568629 0.88 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568676 0.88 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568631 0.88 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568677 0.88 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18259969 0.84 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL18259972 0.84 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL28338860 0.84 ADRB2 (0.87) 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-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
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