SCHEMBL21568545

SCHEMBL21568545

O=C(CCc1ccc(OCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.56
▸ ADRB1 P08588 14/20 0.56
▸ ADRB3 P13945 6/20 0.55
▸ CHRM3 P20309 5/20 0.54

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
SCHEMBL21568548 1.00 ADRB2 (0.56) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568672 0.99 ADRB2 (0.56) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568673 0.99 ADRB2 (0.56) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18897375 0.93 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568558 0.93 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568588 0.93 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18897332 0.93 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568527 0.93 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568526 0.93 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568577 0.90 ADRB2 (0.54) 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
Send feedback