SCHEMBL15045049

SCHEMBL15045049

O=C(N[C@@H]1CCCCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-c2cccc[n+]2[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.60
▸ F2 P00734 4/20 0.50
▸ SMYD3 Q9H7B4 2/20 0.47
▸ NHERF1 O14745 1/20 0.46
▸ PYGL P06737 4/20 0.46
▸ PYGM P11217 3/20 0.45

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
SCHEMBL1858290 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2943091 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2943094 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL11888298 0.90 F10 (0.61) F10F2SMYD3NHERF1PYGL
SCHEMBL1857646 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2935412 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL1857642 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL12669925 0.84 F10 (0.71) F10F2SMYD3NHERF1PYGL
SCHEMBL11888229 0.81 F10 (0.61) F10F2SMYD3NHERF1PYGL
SCHEMBL765293 0.80 F10 (0.62) F10F2SMYD3NHERF1PYGL

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
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