SCHEMBL990758

SCHEMBL990758

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccoc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 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
SCHEMBL991434 1.00 GRM5 (0.45) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990890 0.90 GRM5 (0.47) GRM5L3MBTL1
SCHEMBL991428 0.90 GRM5 (0.47) GRM5NPC1RAB9A
SCHEMBL990768 0.90 GRM5 (0.47) GRM5L3MBTL1
SCHEMBL990930 0.90 GRM5 (0.47) GRM5NPC1RAB9A
SCHEMBL990340 0.88 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL2818567 0.85 L3MBTL1 (0.47) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990125 0.85 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990869 0.85 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL992266 0.85 L3MBTL1 (0.46) GRM5L3MBTL1NPC1RAB9AMEN1

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