SCHEMBL990983

SCHEMBL990983

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.42
ACKR3 P25106 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
DRD4 P21917 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3724178 0.86 GRM5 (0.37) GRM5RAB9ANPC1
SCHEMBL3373542 0.86 GRM5 (0.42) GRM5
SCHEMBL1898596 0.85 GRM5 (0.46) GRM5L3MBTL1RAB9ANPC1
SCHEMBL992121 0.85 GRM5 (0.43) GRM5L3MBTL1RAB9ANPC1
SCHEMBL992162 0.84 GRM5 (0.56) GRM5
SCHEMBL990845 0.84 GRM5 (0.56) GRM5
SCHEMBL991629 0.82 GRM5 (0.46) GRM5L3MBTL1RAB9ANPC1
SCHEMBL992719 0.82 GRM5 (0.47) GRM5L3MBTL1RAB9ANPC1
SCHEMBL990125 0.81 GRM5 (0.57) GRM5L3MBTL1RAB9ANPC1
SCHEMBL3284072 0.81 GRM5 (0.57) GRM5L3MBTL1RAB9ANPC1

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