SCHEMBL990298

SCHEMBL990298

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)[C@@H]1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK9 P50750 2/20 0.34

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
SCHEMBL992315 1.00 GRM5 (0.45) GRM5CNR2EPHX2LMNATP53
SCHEMBL990130 0.90 GRM5 (0.47) GRM5
SCHEMBL3373104 0.85 GRM5 (0.46) GRM5CNR2L3MBTL1IDO1NPC1
SCHEMBL992597 0.84 GRM5 (0.46) GRM5LMNAMAPTNPC1RAB9A
SCHEMBL991485 0.84 GRM5 (0.46) GRM5LMNAMAPTNPC1RAB9A
SCHEMBL990991 0.84 GRM5 (0.48) GRM5EPHX2
SCHEMBL990891 0.83 GRM5 (0.46) GRM5EPHX2LMNAL3MBTL1NPC1
SCHEMBL990723 0.83 GRM5 (0.46) GRM5EPHX2LMNAL3MBTL1NPC1
SCHEMBL2841216 0.81 GRM5 (0.43) GRM5
SCHEMBL2838365 0.81 GRM5 (0.43) GRM5

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
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed