SCHEMBL18023602

SCHEMBL18023602

CC(C)(C)OC(=O)N(CC1CCNCC1)C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.45
▸ ADRB1 P08588 11/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ SRSF6 Q13247 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL18016238 0.88 ADRB2 (0.39) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18557636 0.87 ADRB2 (0.38) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18023553 0.81 ADRB2 (0.37) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18016240 0.80 ADRB2 (0.40) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18557604 0.80 ADRB2 (0.40) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL22839965 0.79 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL17978747 0.78 ADRB2 (0.41) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL22839948 0.77 ADRB2 (0.47) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18023701 0.77 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL18016296 0.76 ADRB2 (0.35) ADRB2ADRB1SLC6A2ADRA1DHTR2A

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
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — WO disclosed
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