SCHEMBL18946467

SCHEMBL18946467

CNc1c(O)ccc(C(O)CNCCCCCCOc2cccc(C(=O)NC3(C)CCc4ccccc43)c2)c1/C=C\C=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.40
▸ CHRM3 P20309 10/20 0.40
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ MAOB P27338 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL18946751 0.88 ADRB2 (0.36) ADRB2CHRM3ADRB1DRD3
SCHEMBL23223721 0.81 ADRB2 (0.58) ADRB2CHRM3ADRB1
SCHEMBL23223736 0.78 ADRB2 (0.39) ADRB2CHRM3ADRB1KDM4ELMNA
SCHEMBL18946718 0.76 MAOB (0.36) PRMT5WDR77MAOBKDM4ELMNA
SCHEMBL18946707 0.74 ADRB2 (0.37) ADRB2ADRB1
SCHEMBL21573538 0.72 ADRB2 (0.43) ADRB2ADRB1LMNARAB9ADRD3
SCHEMBL23198068 0.71 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL23198066 0.71 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL23198043 0.71 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL18920924 0.71 ADRB2 (0.63) ADRB2CHRM3ADRB1

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-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — WO disclosed
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