SCHEMBL990845

SCHEMBL990845

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.56
GRM4 Q14833 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MET P08581 1/20 0.43
KDR P35968 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL992162 1.00 GRM5 (0.56) GRM5GRM4HDAC6CNR2EGFR
SCHEMBL992297 0.90 GRM5 (0.58) GRM5
SCHEMBL992298 0.89 CNR2 (0.48) GRM5CNR2
SCHEMBL990819 0.89 GRM5 (0.46) GRM5CNR2
SCHEMBL990196 0.89 CNR2 (0.48) GRM5CNR2
SCHEMBL990171 0.89 GRM5 (0.46) GRM5CNR2
2-Picolinic Acid SCHEMBL3631655 0.88 GRM5 (0.50) GRM5
SCHEMBL990944 0.87 GRM5 (0.58) GRM5CNR2
SCHEMBL990821 0.87 GRM5 (0.44) GRM5
SCHEMBL1906015 0.87 GRM5 (0.58) GRM5CNR2

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
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed