SCHEMBL627052

SCHEMBL627052

Cn1c(=O)n(CC(C)(C)C)c2cccc(OCF)c21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.44
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL626267 0.72 GRM2 (0.54) GRM2GAA
SCHEMBL625991 0.72 GRM2 (0.68) GRM2GAANPC1LMNATSHR
SCHEMBL9883723 0.69 GRM2 (0.49) GRM2TSHR
SCHEMBL626723 0.69 GRM2 (0.44) GRM2
SCHEMBL626105 0.69 GRM2 (0.47) GRM2
SCHEMBL626450 0.68 GRM2 (0.61) GRM2
SCHEMBL626749 0.67 GRM2 (0.43) GRM2
SCHEMBL626002 0.65 GRM2 (0.51) GRM2
SCHEMBL13355035 0.65 BRD4 (0.51) GAANPC1LMNATSHRRAB9A
SCHEMBL14992941 0.65 GRM2 (0.57) GRM2

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-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP disclosed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed