SCHEMBL990026

SCHEMBL990026

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1nnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CNR2 P34972 2/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL990270 1.00 GRM5 (0.43) GRM5L3MBTL1NPC1RAB9ACNR2
SCHEMBL991609 0.90 GRM5 (0.46) GRM5
SCHEMBL3378678 0.87 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3373475 0.87 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990862 0.84 NPC1 (0.45) GRM5L3MBTL1NPC1RAB9ACNR2
SCHEMBL992650 0.84 NPC1 (0.45) GRM5L3MBTL1NPC1RAB9ACNR2
SCHEMBL990340 0.83 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990196 0.82 CNR2 (0.48) GRM5L3MBTL1NPC1RAB9ACNR2
SCHEMBL992298 0.82 CNR2 (0.48) GRM5L3MBTL1NPC1RAB9ACNR2
SCHEMBL990125 0.81 GRM5 (0.57) 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