SCHEMBL5190924

SCHEMBL5190924

[c]1nc2ccccc2cc1C1NCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.48
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.47
GID4 Q8IVV7 1/20 0.41
MAPT P10636 2/20 0.39
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5266413 0.86 PTPRA (0.39) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7433439 0.74 PRCP (0.49) PRCPRECQLGAAGID4MAPT
SCHEMBL28547431 0.71 PRCP (0.53) PRCPRECQLGAAGID4MAPT
SCHEMBL7498131 0.70 PRCP (0.51) PRCPRECQLGAAGID4MAPT
SCHEMBL2725734 0.69 PRCP (0.50) PRCPRECQLGAAGID4MAPT
SCHEMBL10773340 0.69 SLC6A2 (0.36) MAPTHTR2B
SCHEMBL3140174 0.69 PRCP (0.57) PRCPRECQLGAAGID4MAPT
SCHEMBL6691603 0.69 PRCP (0.53) PRCPRECQLGAAGID4MAPT
SCHEMBL1597975 0.68 KDM1A (0.69) PRCPRECQLGAAGID4TSHR
SCHEMBL2676256 0.67 PRCP (0.59) PRCPRECQLGAAGID4MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP claimed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1807073-A2 HETEROCYCLIC INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006047237-A2 HETEROCYCLIC INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed