SCHEMBL991629

SCHEMBL991629

O=C(c1ccccc1)c1cccnc1C(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL990821 0.85 GRM5 (0.44) GRM5
SCHEMBL990968 0.84 GRM5 (0.45) GRM5L3MBTL1RAB9A
SCHEMBL990400 0.84 GRM5 (0.43) GRM5L3MBTL1KDM4EALDH1A1GAA
SCHEMBL992162 0.83 GRM5 (0.56) GRM5
SCHEMBL990845 0.83 GRM5 (0.56) GRM5
SCHEMBL1898596 0.83 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992121 0.83 GRM5 (0.43) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990983 0.82 GRM5 (0.42) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990340 0.82 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990840 0.82 GRM5 (0.60) GRM5L3MBTL1ALDH1A1GAANPC1

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