SCHEMBL15045015

SCHEMBL15045015

COC(=O)NCCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c3cc4cc(CI)ccc4[nH]3)sc2C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
F2 P00734 4/20 0.60

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
SCHEMBL765139 0.91 F10 (0.62) F10F2
SCHEMBL12631849 0.90 F10 (0.75) F10F2
SCHEMBL14570511 0.90 F10 (0.65) F10F2
Hydrochloric Acid SCHEMBL1503869 0.90 F10 (0.74) F10F2
Hydrochloric Acid SCHEMBL4093517 0.90 F10 (0.74) F10F2
Hydrochloric Acid SCHEMBL1503867 0.90 F10 (0.74) F10F2
SCHEMBL14570513 0.89 F10 (0.64) F10F2
SCHEMBL14570192 0.89 F10 (0.63) F10F2
SCHEMBL4089845 0.84 F10 (0.71) F10F2
SCHEMBL4089850 0.84 F10 (0.71) 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