SCHEMBL990832

SCHEMBL990832

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
GRM5 P41594 8/20 0.42
FAAH O00519 2/20 0.41
CNR1 P21554 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL990812 0.84 RAB9A (0.55) CHRNA7GRM5LMNASMN1; SMN2TSHR
SCHEMBL990236 0.82 GRM5 (0.43) GRM5CNR1
SCHEMBL992116 0.82 GRM5 (0.43) GRM5CNR1
SCHEMBL990340 0.80 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992162 0.80 GRM5 (0.56) GRM5
SCHEMBL990196 0.80 CNR2 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL991006 0.80 GRM5 (0.46) GRM5L3MBTL1TSHRNPC1RAB9A
SCHEMBL992693 0.80 GRM5 (0.46) GRM5L3MBTL1TSHRNPC1RAB9A
SCHEMBL990845 0.80 GRM5 (0.56) GRM5
SCHEMBL992298 0.80 CNR2 (0.48) GRM5L3MBTL1NPC1RAB9A

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