SCHEMBL15045008

SCHEMBL15045008

CN(C(=O)C1CCN(c2ccncc2)CC1)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.50
F2 P00734 5/20 0.50
PYGL P06737 3/20 0.47
PLAT P00750 1/20 0.46

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
SCHEMBL11888301 0.86 F10 (0.53) F10F2
Hydrochloric Acid SCHEMBL1504263 0.85 F10 (0.52) F10F2
Hydrochloric Acid SCHEMBL4095776 0.85 F10 (0.52) F10F2
Hydrochloric Acid SCHEMBL1504264 0.85 F10 (0.52) F10F2
SCHEMBL15045043 0.84 PYGL (0.53) F10F2PYGL
SCHEMBL10280038 0.76 CNR1 (0.47) F10F2PYGL
SCHEMBL765138 0.76 F10 (0.63) F10F2PYGL
SCHEMBL15045007 0.76 PYGL (0.54) F10F2PYGL
Hydrochloric Acid SCHEMBL4093327 0.75 F10 (0.62) F10F2PYGL
Hydrochloric Acid SCHEMBL4093321 0.75 F10 (0.62) F10F2PYGL

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