SCHEMBL990361

SCHEMBL990361

Cc1occc1C(=O)N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
GRM5 P41594 9/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 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
SCHEMBL990881 1.00 LMNA (0.50) LMNAGLAMAPK1GRM5ALDH1A1
SCHEMBL990865 0.87 NPC1 (0.46) LMNAGRM5NPC1RAB9AL3MBTL1
SCHEMBL990087 0.86 LMNA (0.50) LMNAGRM5NPC1RAB9AL3MBTL1
SCHEMBL3377773 0.85 GRM5 (0.46) GRM5
SCHEMBL3377253 0.85 GRM5 (0.46) GRM5
SCHEMBL990107 0.84 ALDH1A1 (0.49) LMNAMAPK1GRM5ALDH1A1NPC1
SCHEMBL990808 0.84 ALDH1A1 (0.49) LMNAMAPK1GRM5ALDH1A1NPC1
SCHEMBL990869 0.83 GRM5 (0.48) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL990822 0.83 NPC1 (0.48) LMNAMAPK1GRM5ALDH1A1NPC1
SCHEMBL1907158 0.83 GRM5 (0.46) LMNAGRM5ALDH1A1NPC1RAB9A

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