SCHEMBL990823

SCHEMBL990823

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
GRM5 P41594 10/20 0.42
ACKR3 P25106 1/20 0.40
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3378272 0.85 GRM5 (0.42) MAOBGRM5NPC1RAB9A
SCHEMBL990822 0.83 NPC1 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990999 0.83 GRM5 (0.56) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990361 0.82 LMNA (0.50) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990881 0.82 LMNA (0.50) GRM5L3MBTL1NPC1RAB9A
SCHEMBL1907158 0.82 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL1907156 0.82 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL2815651 0.82 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990812 0.81 RAB9A (0.55) MAOBGRM5NPC1RAB9A
SCHEMBL990340 0.81 L3MBTL1 (0.59) 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 1 patent. 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