SCHEMBL3813373

SCHEMBL3813373

O=C(c1cc2c([N+](=O)[O-])cc(Cl)cn2n1)N1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
HPGD P15428 4/20 0.55
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4B Q07343 1/20 0.47
RAB9A P51151 1/20 0.47
BCL2 P10415 1/20 0.46
BAD Q92934 1/20 0.46
SPR P35270 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL3821167 0.88 HPGD (0.55) GAAHPGDPOLBALDH1A1HTT
SCHEMBL3819582 0.87 GAA (0.47) GAAHPGDPOLBALDH1A1HTT
SCHEMBL3815966 0.85 SPR (0.56) GAAHPGDPOLBALDH1A1HTT
SCHEMBL3815336 0.84 GAA (0.44) GAAHPGDALDH1A1HTTMAPT
SCHEMBL3816553 0.84 GAA (0.44) GAAHPGDALDH1A1HTTMAPT
SCHEMBL3811660 0.82 GRM5 (0.45) GAAHPGDALDH1A1HTTMAPT
SCHEMBL3821083 0.82 GAA (0.41) GAAHPGDALDH1A1MAPTMEN1
SCHEMBL3812443 0.80 HPGD (0.52) GAAHPGDPOLBALDH1A1HTT
SCHEMBL3818952 0.77 SCD (0.43) GAAALDH1A1SPR
SCHEMBL3820281 0.77 POLB (0.57) GAAHPGDPOLBALDH1A1HTT

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 3 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
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