SCHEMBL21573519

SCHEMBL21573519

O=CN(CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.61
▸ ADRB1 P08588 14/20 0.61
▸ DRD2 P14416 2/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ CHRM3 P20309 1/20 0.52

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
SCHEMBL21573582 0.86 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL21573585 0.84 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL17074617 0.81 ADRB2 (0.58) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL14166359 0.80 ADRB2 (0.65) ADRB2ADRB1CHRM3
Formic Acid SCHEMBL17074740 0.80 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17074635 0.80 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL17074646 0.80 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL17074640 0.80 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL21573516 0.79 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL16205032 0.79 ADRB2 (0.58) ADRB2ADRB1DRD2DRD1DRD4

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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