SCHEMBL990891

SCHEMBL990891

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)C1Oc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.46
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL990723 1.00 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9AIDH1
SCHEMBL3376157 0.87 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992597 0.83 GRM5 (0.46) GRM5NPC1RAB9ALMNATSHR
SCHEMBL991485 0.83 GRM5 (0.46) GRM5NPC1RAB9ALMNATSHR
SCHEMBL992315 0.83 GRM5 (0.45) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990298 0.83 GRM5 (0.45) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990340 0.82 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL16390663 0.81 EPHX2 (0.53) GRM5MEN1LMNAEPHX2KMT2A
SCHEMBL990289 0.81 EPHX2 (0.53) GRM5MEN1LMNAEPHX2KMT2A
SCHEMBL990822 0.80 NPC1 (0.48) GRM5L3MBTL1NPC1RAB9ALMNA

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
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 WO disclosed