SCHEMBL742950

SCHEMBL742950

CCOC(=O)C1CCC(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.62
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
SCHEMBL744296 0.94 F10 (0.65) F10F2
Hydrochloric Acid SCHEMBL744266 0.94 F10 (0.64) F10F2
Hydrochloric Acid SCHEMBL740477 0.90 F10 (0.72) F10F2
Hydrochloric Acid SCHEMBL741118 0.89 F10 (0.72) F10F2
Hydrochloric Acid SCHEMBL743539 0.89 F10 (0.72) F10F2
Hydrochloric Acid SCHEMBL741903 0.89 F10 (0.63) F10F2
Hydrochloric Acid SCHEMBL743872 0.89 F10 (0.72) F10F2
Hydrochloric Acid SCHEMBL740473 0.89 F10 (0.71) F10F2
Hydrochloric Acid SCHEMBL742484 0.89 F10 (0.63) F10F2
Hydrochloric Acid SCHEMBL744239 0.88 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 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