SCHEMBL3819969

SCHEMBL3819969

CN1c2c(cccc2-c2ccncc2)CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.39
ALDH1A1 P00352 3/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 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
SCHEMBL3819705 0.89 DRD2 (0.35) GRM5ALDH1A1POLBDRD2DRD1
SCHEMBL3821332 0.89 GRM5 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815961 0.87 GRM5 (0.41) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL928249 0.87 GRM5 (0.54) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3822536 0.86 PDCD1 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3820753 0.85 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3812937 0.84 GRM5 (0.39) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL13720090 0.84 NOTUM (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3816355 0.83 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3818786 0.82 GRM5 (0.36) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed