SCHEMBL15045014

SCHEMBL15045014

O=C(NC1CCCC[C@H]1NC(=O)c1cc2c(s1)CCNC2)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.55
F2 P00734 4/20 0.55
SMYD3 Q9H7B4 1/20 0.48
PYGL P06737 5/20 0.45
PYGM P11217 4/20 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
SCHEMBL12036025 1.00 F10 (0.55) F10F2SMYD3PYGLPYGM
Hydrochloric Acid SCHEMBL2943072 0.99 F10 (0.54) F10F2SMYD3PYGLPYGM
Hydrochloric Acid SCHEMBL2943074 0.99 F10 (0.54) F10F2SMYD3PYGLPYGM
Hydrochloric Acid SCHEMBL4093446 0.99 F10 (0.54) F10F2SMYD3PYGLPYGM
SCHEMBL765285 0.89 F10 (0.45) F10F2PYGLPYGM
SCHEMBL12036023 0.83 F10 (0.70) F10F2
Hydrochloric Acid SCHEMBL2941064 0.83 F10 (0.69) F10F2
Hydrochloric Acid SCHEMBL4097827 0.83 F10 (0.69) F10F2
Hydrochloric Acid SCHEMBL2941065 0.83 F10 (0.69) F10F2
Hydrochloric Acid SCHEMBL742425 0.82 SMYD3 (0.40) F10F2SMYD3PYGLPYGM

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