SCHEMBL990812

SCHEMBL990812

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.44
GRM5 P41594 1/20 0.43
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
HTT P42858 1/20 0.42
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
ATM Q13315 2/20 0.41
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL3376495 0.85 GRM5 (0.43) RAB9AGRM5NPC1MAOB
SCHEMBL992693 0.85 GRM5 (0.46) RAB9AGRM5NPC1ALDH1A1HPGD
SCHEMBL991006 0.85 GRM5 (0.46) RAB9AGRM5NPC1ALDH1A1HPGD
SCHEMBL990832 0.84 CHRNA7 (0.43) RAB9ALMNAMAPTGRM5NPC1
SCHEMBL990107 0.83 ALDH1A1 (0.49) RAB9ALMNAMAPTGRM5NPC1
SCHEMBL990808 0.83 ALDH1A1 (0.49) RAB9ALMNAMAPTGRM5NPC1
SCHEMBL990340 0.82 L3MBTL1 (0.59) RAB9AGRM5NPC1
SCHEMBL992077 0.82 GRM5 (0.44) RAB9AGRM5NPC1
SCHEMBL990212 0.82 GRM5 (0.44) RAB9AGRM5NPC1
SCHEMBL990823 0.81 MAOB (0.46) RAB9AGRM5NPC1MAOB

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