SCHEMBL625475

SCHEMBL625475

Cn1c(=O)[nH]c2c(CC(C)(C)C)cc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.57
MAPT P10636 1/20 0.42
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
GRIN1 Q05586 7/20 0.39
GRIN2B Q13224 7/20 0.39
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 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
SCHEMBL625884 0.86 PGR (0.40) PGRLMNA
SCHEMBL625682 0.84 GRM2 (0.42) PGRGRIN1GRIN2BLMNA
SCHEMBL625825 0.81 METAP2 (0.39) PGRMAPTMAOBRXFP1LMNA
SCHEMBL625493 0.80 PDE3B (0.43) RXFP1LMNA
SCHEMBL625578 0.78 CHEK1 (0.36) PGRRXFP1LMNA
SCHEMBL627637 0.75 PDE2A (0.44) LMNA
SCHEMBL6540944 0.73 PGR (1.00) PGRMAPTMAOBMAOALMNA
SCHEMBL624871 0.73 CSNK2A2 (0.36) MAPTRXFP1LMNA
SCHEMBL627135 0.68 LMNA (0.40) PGRMAPTMAOBGRIN1GRIN2B
SCHEMBL10146602 0.66 GRM2 (0.76) PGRMAOBMAOAGRIN1GRIN2B

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 claimed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO claimed