SCHEMBL992293

SCHEMBL992293

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cc2cc(O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.46
MLLT1 Q03111 1/20 0.44
GRM5 P41594 1/20 0.42
PYGL P06737 8/20 0.40
PYGM P11217 6/20 0.40
GUSB P08236 1/20 0.39
SRC P12931 1/20 0.39
BCAT1 P54687 1/20 0.39
CYP51A1 Q16850 1/20 0.39
CNR2 P34972 1/20 0.38
F10 P00742 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL990736 0.84 GRM5 (0.46) GRM5
SCHEMBL990757 0.84 GRM5 (0.46) GRM5
SCHEMBL2818567 0.84 L3MBTL1 (0.47) GRM5
SCHEMBL990345 0.83 GRM5 (0.43) GRM5
SCHEMBL990340 0.80 L3MBTL1 (0.59) GRM5
SCHEMBL992650 0.80 NPC1 (0.45) GRM5CNR2
SCHEMBL990862 0.80 NPC1 (0.45) GRM5CNR2
SCHEMBL2815651 0.79 GRM5 (0.46) GRM5
SCHEMBL1907158 0.79 GRM5 (0.46) GRM5
SCHEMBL990822 0.79 NPC1 (0.48) GRM5

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-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed