SCHEMBL992604

SCHEMBL992604

Cn1cccc1C(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GRM5 P41594 14/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
SCN4A P35499 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KMT2A Q03164 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
SCHEMBL3377098 0.87 GRM5 (0.48) NPC1RAB9AGRM5L3MBTL1
SCHEMBL990211 0.87 GRM5 (0.49) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL991174 0.87 GRM5 (0.49) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL990340 0.84 L3MBTL1 (0.59) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL990869 0.83 GRM5 (0.48) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL2818567 0.82 L3MBTL1 (0.47) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL1898596 0.81 GRM5 (0.46) NPC1RAB9AGRM5L3MBTL1
SCHEMBL990807 0.81 GRM5 (0.52) NPC1RAB9AGRM5L3MBTL1KMT2A
SCHEMBL2815651 0.81 GRM5 (0.46) NPC1RAB9AGRM5L3MBTL1
SCHEMBL990125 0.81 GRM5 (0.57) NPC1RAB9AGRM5L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed