SCHEMBL742024

SCHEMBL742024

NC1(C(=O)c2nc3c(s2)CN(CC(=O)O)CC3)CCCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
F2 P00734 4/20 0.55

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
SCHEMBL742968 0.90 F10 (0.54) F10F2
Hydrochloric Acid SCHEMBL742600 0.89 F10 (0.58) F10F2
SCHEMBL740460 0.87 F10 (0.58) F10F2
Hydrochloric Acid SCHEMBL740894 0.86 F10 (0.56) F10F2
Hydrochloric Acid SCHEMBL1862071 0.86 F10 (0.57) F10F2
Hydrochloric Acid SCHEMBL743409 0.86 F10 (0.57) F10F2
SCHEMBL743739 0.85 F10 (0.60) F10F2
SCHEMBL741608 0.85 F10 (0.61) F10F2
Hydrochloric Acid SCHEMBL741845 0.84 F10 (0.58) F10F2
SCHEMBL744263 0.84 F10 (0.58) 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-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed