SCHEMBL627105

SCHEMBL627105

Cn1c(=O)[nH]c2c(CC(C)(C)C)cc(-c3cccnc3F)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.41
KMO O15229 1/20 0.39
BACE1 P56817 4/20 0.36
CTSD P07339 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
DYRK1A Q13627 2/20 0.35
USP1 O94782 1/20 0.35
WNT1 P04628 1/20 0.33
CYP11B2 P19099 1/20 0.33

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 0.78 PDE3B (0.43) METAP2RXFP1LMNA
SCHEMBL625999 0.77 BRD4 (0.35) DYRK1A
SCHEMBL627637 0.74 PDE2A (0.44) LMNAPDE2A
SCHEMBL625884 0.73 PGR (0.40) LMNA
SCHEMBL625475 0.73 PGR (0.57) RXFP1LMNAMAPT
SCHEMBL625825 0.73 METAP2 (0.39) METAP2RXFP1LMNAMAPTPDE2A
SCHEMBL625578 0.72 CHEK1 (0.36) RXFP1LMNA
SCHEMBL625682 0.72 GRM2 (0.42) LMNA
SCHEMBL626022 0.70 CYP11B1 (0.33) RXFP1CYP11B2
SCHEMBL624871 0.70 CSNK2A2 (0.36) RXFP1LMNAMAPTPDE2A

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