SCHEMBL624871

SCHEMBL624871

Cn1c(=O)[nH]c2c(CC(C)(C)C)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
DDR1 Q08345 1/20 0.31
DAO P14920 1/20 0.31
PDE2A O00408 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL625493 0.76 PDE3B (0.43) RXFP1LMNAPDE3BPDE3A
SCHEMBL625578 0.74 CHEK1 (0.36) RXFP1LMNAPDE3BPDE3AHSD17B10
SCHEMBL21435535 0.73 DAO (0.44) CSNK2A2CSNK2BCSNK2A1RXFP1LMNA
SCHEMBL31731460 0.73 DAO (0.44) CSNK2A2CSNK2BCSNK2A1RXFP1LMNA
SCHEMBL625475 0.73 PGR (0.57) RXFP1LMNAMAPT
SCHEMBL625884 0.73 PGR (0.40) LMNADAO
SCHEMBL626022 0.72 CYP11B1 (0.33) RXFP1
SCHEMBL625682 0.72 GRM2 (0.42) LMNADAO
SCHEMBL31248814 0.71 DAO (0.42) CSNK2A2CSNK2BCSNK2A1RXFP1LMNA
SCHEMBL31248811 0.71 DAO (0.42) CSNK2A2CSNK2BCSNK2A1RXFP1LMNA

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