SCHEMBL992597

SCHEMBL992597

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CLK1 P49759 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 4/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.37
MAPK10 P53779 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 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
SCHEMBL991485 1.00 GRM5 (0.46) GRM5ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL990801 0.90 GRM5 (0.48) GRM5ALDH1A1
SCHEMBL3375215 0.84 GRM5 (0.48) GRM5NPC1RAB9A
SCHEMBL3371621 0.84 GRM5 (0.48) GRM5NPC1RAB9A
SCHEMBL990298 0.84 GRM5 (0.45) GRM5NPC1RAB9ALMNAMAPT
SCHEMBL992315 0.84 GRM5 (0.45) GRM5NPC1RAB9ALMNAMAPT
SCHEMBL990891 0.83 GRM5 (0.46) GRM5NPC1RAB9ATSHRLMNA
SCHEMBL990723 0.83 GRM5 (0.46) GRM5NPC1RAB9ATSHRLMNA
SCHEMBL990340 0.81 L3MBTL1 (0.59) GRM5NPC1RAB9A
SCHEMBL2839746 0.81 GRM5 (0.43) GRM5ALDH1A1NPC1RAB9AHSD17B10

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