SCHEMBL15045009

SCHEMBL15045009

COCCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4n3C)sc2C1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.58
F2 P00734 4/20 0.56

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
SCHEMBL15045075 0.89 F10 (0.70) F10F2
SCHEMBL763914 0.85 F10 (0.79) F10F2
Hydrochloric Acid SCHEMBL4097548 0.84 F10 (0.78) F10F2
Hydrochloric Acid SCHEMBL2942946 0.84 F10 (0.78) F10F2
SCHEMBL12631715 0.83 F10 (0.79) F10F2
Hydrochloric Acid SCHEMBL4094102 0.83 F10 (0.78) F10F2
Hydrochloric Acid SCHEMBL4094105 0.83 F10 (0.78) F10F2
SCHEMBL15045024 0.82 F10 (0.66) F10F2
SCHEMBL15045013 0.80 F10 (0.52) F10F2
SCHEMBL15045054 0.80 F10 (0.46) F10F2

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-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed