SCHEMBL21568614

SCHEMBL21568614

O=C(c1ccc(C(=O)N(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)Cc2ccccc2)s1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.52
▸ ADRB1 P08588 12/20 0.52
▸ CHRM3 P20309 3/20 0.51

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
SCHEMBL21568612 1.00 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568641 0.93 ADRB2 (0.51) ADRB2ADRB1CHRM3
SCHEMBL21568643 0.93 ADRB2 (0.51) ADRB2ADRB1CHRM3
SCHEMBL21568639 0.90 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568637 0.90 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL28338762 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18260068 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18260066 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL21568536 0.86 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL21568537 0.86 ADRB2 (0.62) ADRB2ADRB1CHRM3

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 claimed
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