SCHEMBL990819

SCHEMBL990819

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.46
CHRM5 P08912 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACKR3 P25106 1/20 0.40

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
SCHEMBL990171 1.00 GRM5 (0.46) GRM5CHRM5NPC1RAB9ACNR2
SCHEMBL990179 0.90 GRM5 (0.46) GRM5NPC1RAB9AACKR3
SCHEMBL990855 0.90 GRM5 (0.46) GRM5NPC1RAB9AACKR3
SCHEMBL992162 0.89 GRM5 (0.56) GRM5CNR2
SCHEMBL990845 0.89 GRM5 (0.56) GRM5CNR2
SCHEMBL992297 0.88 GRM5 (0.58) GRM5ACKR3
SCHEMBL990944 0.87 GRM5 (0.58) GRM5NPC1RAB9ACNR2
SCHEMBL1906015 0.87 GRM5 (0.58) GRM5NPC1RAB9ACNR2
SCHEMBL990196 0.86 CNR2 (0.48) GRM5NPC1RAB9ACNR2L3MBTL1
SCHEMBL992298 0.86 CNR2 (0.48) GRM5NPC1RAB9ACNR2L3MBTL1

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-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed