SCHEMBL740563

SCHEMBL740563

CN(C)C(=O)C1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)(C(=O)OC(C)(C)C)C(N)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.43
ATF4 P18848 4/20 0.38
ANO1 Q5XXA6 1/20 0.36
SCN9A Q15858 2/20 0.32

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
SCHEMBL743324 0.88 F10 (0.46) F10ATF4ANO1
SCHEMBL740808 0.82 F10 (0.44) F10
SCHEMBL4083183 0.76 F10 (0.61) F10
SCHEMBL4263703 0.75 F10 (0.44) F10ATF4SCN9A
SCHEMBL741538 0.73 SMYD3 (0.46)
SCHEMBL743062 0.73 F10 (0.32) F10
SCHEMBL10279947 0.72 F10 (0.62) F10
SCHEMBL739377 0.71 F10 (0.44) F10
SCHEMBL739706 0.70 KMT2A (0.50)
SCHEMBL15045000 0.70 F10 (0.61) F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed