SCHEMBL990865

SCHEMBL990865

Cc1cc(C(=O)N[C@@H]2CCC[C@](O)(C#Cc3cccc(Cl)c3)C2)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
GRM5 P41594 13/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 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
SCHEMBL990361 0.87 LMNA (0.50) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL990881 0.87 LMNA (0.50) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL990087 0.86 LMNA (0.50) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL3379028 0.86 GRM5 (0.46) GRM5
SCHEMBL990822 0.85 NPC1 (0.48) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL990869 0.83 GRM5 (0.48) NPC1RAB9AGRM5L3MBTL1
SCHEMBL1907158 0.83 GRM5 (0.46) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL1907156 0.83 GRM5 (0.46) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL2815651 0.83 GRM5 (0.46) NPC1RAB9ALMNAGRM5L3MBTL1
SCHEMBL989512 0.83 GRM5 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
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