SCHEMBL23223736

SCHEMBL23223736

CNc1c(O)ccc([C@@H](O)CNCCCCCOc2cccc(C=O)c2)c1/C=C\C=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.39
▸ ADRB1 P08588 9/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHRM3 P20309 7/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ADRB3 P13945 4/20 0.35

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 0.84 ADRB2 (0.37) ADRB2ADRB1ADRB3
SCHEMBL21573538 0.82 ADRB2 (0.43) ADRB2ADRB1DRD3LMNARAB9A
SCHEMBL23223709 0.81 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL18946751 0.79 ADRB2 (0.36) ADRB2ADRB1DRD3CHRM3ADRB3
SCHEMBL18946467 0.78 ADRB2 (0.40) ADRB2ADRB1DRD3KDM4ELMNA
SCHEMBL21573522 0.74 ADRB2 (0.68) ADRB2ADRB1CHRM3
SCHEMBL19903846 0.74 ADRB2 (0.36) ADRB2ADRB1DRD3LMNARAB9A
SCHEMBL20373657 0.74 ADRB2 (0.40) ADRB2ADRB1DRD3
SCHEMBL19903883 0.71 ADRB2 (0.36) ADRB2ADRB1DRD3TDP1ALDH1A1
SCHEMBL21573495 0.70 ADRB2 (0.42) ADRB2ADRB1

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-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
Send feedback