SCHEMBL18557794

SCHEMBL18557794

COc1cc(C(=O)NCCNC(=O)c2ccc(COc3cccc(C(C(=O)OCC4CCN(Cc5ccccc5)CC4)c4ccccc4)c3)cc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.72
▸ CHRM3 P20309 20/20 0.72

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
SCHEMBL18557671 0.96 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18557678 0.93 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL18813973 0.91 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL18557750 0.90 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18557630 0.90 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL29631439 0.90 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL17978799 0.90 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL24404438 0.90 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL18557700 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL24404546 0.88 ADRB2 (0.70) 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
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
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