SCHEMBL22010757

SCHEMBL22010757

CNc1ncc(/C=C/C(=O)N(C)Cc2c(C)oc3c(Oc4ccc(C#N)cc4)cccc23)cc1NCCC=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.32
GCK P35557 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL22010765 0.90 SNCA (0.31) SNCAGCKKCNH2
SCHEMBL22010509 0.89 MTNR1B (0.33)
SCHEMBL22011516 0.86 NPY2R (0.30)
SCHEMBL22010915 0.85
SCHEMBL22010781 0.84
SCHEMBL22010507 0.80 BRD4 (0.34)
SCHEMBL22010759 0.77 KDM4E (0.33)
SCHEMBL22010479 0.76
SCHEMBL13813400 0.74
SCHEMBL22011519 0.74

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed