SCHEMBL20373553

SCHEMBL20373553

CNc1c(O)ccc(C(O)CNCc2ccc(CNC(=O)c3ccc(COc4ccccc4)cc3)cc2OC)c1/C=C\C=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ ADRB2 P07550 3/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL20373326 0.72 TRPV1 (0.33) MEN1KMT2AADRB2
SCHEMBL20357931 0.72 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL20357928 0.72 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL20357930 0.72 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22839802 0.70 KDM4E (0.40) MEN1KMT2ALMNAADRB2CHRM3
SCHEMBL22839848 0.70 ADRB2 (0.36) ADRB2CHRM3
SCHEMBL19903848 0.70 CHRM3 (0.42) ADRB2CHRM3
SCHEMBL19903850 0.70 CHRM3 (0.39) ADRB2CHRM3
SCHEMBL19903846 0.68 ADRB2 (0.36) MEN1KMT2ALMNAADRB2
SCHEMBL17978844 0.68 ADRB2 (0.71) ADRB2CHRM3

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-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 — — EP disclosed
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