SCHEMBL21573538

SCHEMBL21573538

CCc1ccc(OCCCCNCC(O)c2ccc(O)c(NC)c2/C=C\C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.43
▸ ADRB1 P08588 12/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ADRB3 P13945 5/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL18946707 0.85 ADRB2 (0.37) ADRB2ADRB1ADRB3DRD2
SCHEMBL23223709 0.83 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL23223736 0.82 ADRB2 (0.39) ADRB2ADRB1DRD3ADRB3RAB9A
SCHEMBL20373657 0.78 ADRB2 (0.40) ADRB2ADRB1DRD3DRD2
SCHEMBL19903846 0.77 ADRB2 (0.36) ADRB2ADRB1DRD3ADRB3DRD2
SCHEMBL21573495 0.76 ADRB2 (0.42) ADRB2ADRB1DRD2
SCHEMBL18946751 0.74 ADRB2 (0.36) ADRB2ADRB1DRD3ADRB3DRD2
SCHEMBL21573587 0.72 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL21573555 0.72 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL19903887 0.70 ADRB2 (0.32) ADRB2ADRB1ADRB3DRD2

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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