SCHEMBL990212

SCHEMBL990212

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1ccno1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL992077 1.00 GRM5 (0.44) GRM5NPC1RAB9AL3MBTL1ACKR3
SCHEMBL990155 0.90 GRM5 (0.47) GRM5
SCHEMBL989481 0.90 GRM5 (0.47) GRM5
SCHEMBL990107 0.85 ALDH1A1 (0.49) GRM5NPC1RAB9AL3MBTL1MEN1
SCHEMBL992693 0.85 GRM5 (0.46) GRM5NPC1RAB9AL3MBTL1TRPV1
SCHEMBL990808 0.85 ALDH1A1 (0.49) GRM5NPC1RAB9AL3MBTL1MEN1
SCHEMBL991006 0.85 GRM5 (0.46) GRM5NPC1RAB9AL3MBTL1TRPV1
SCHEMBL3374797 0.85 GRM5 (0.44) GRM5NPC1RAB9AL3MBTL1
SCHEMBL3376064 0.85 GRM5 (0.44) GRM5NPC1RAB9AL3MBTL1
SCHEMBL990125 0.84 GRM5 (0.57) GRM5NPC1RAB9AL3MBTL1

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
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed