SCHEMBL3821167

SCHEMBL3821167

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
GAA P10253 3/20 0.52
HTT P42858 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4B Q07343 1/20 0.47
RAB9A P51151 2/20 0.47
BCL2 P10415 1/20 0.46
BAD Q92934 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
GRM5 P41594 1/20 0.45
KMT2A Q03164 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
SCHEMBL3813373 0.88 GAA (0.60) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3815659 0.87 NPSR1 (0.43) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3812764 0.85 HPGD (0.53) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3820115 0.84 GRM5 (0.48) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3814391 0.84 TRPC3 (0.40) HPGDGAAHTTMAPTSMN1; SMN2
SCHEMBL3819293 0.84 TRPC3 (0.40) HPGDGAAHTTMAPTSMN1; SMN2
SCHEMBL3820182 0.82 SMN1; SMN2 (0.41) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3820279 0.80 HPGD (0.52) HPGDGAAHTTALDH1A1MAPT
SCHEMBL3811238 0.77 NAMPT (0.39) HPGDGAAALDH1A1MAPTPOLB
SCHEMBL3818158 0.77 SCD (0.43) HPGDGAAALDH1A1MAPTPOLB

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