SCHEMBL3821745

SCHEMBL3821745

CN1c2ccc(S(C)(=O)=O)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.36
IDO1 P14902 1/20 0.36
GPR119 Q8TDV5 9/20 0.35
GRM5 P41594 5/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 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
SCHEMBL3815150 0.93 GRM5 (0.36) IDO1GPR119GRM5MAPT
SCHEMBL3816668 0.89 GRM5 (0.39) GRM5MAPT
SCHEMBL3815822 0.89 ROCK1 (0.36) ROCK1GPR119NPC1
SCHEMBL3812491 0.86 NOTUM (0.39) GRM5MAPT
SCHEMBL928795 0.86 GRM5 (0.51) GRM5MAPTKMT2A
SCHEMBL3814317 0.86 NOTUM (0.42) GRM5MAPT
SCHEMBL3821061 0.85 NOTUM (0.40) GRM5MAPT
SCHEMBL13720384 0.85 NOTUM (0.40) GRM5MAPT
SCHEMBL3816059 0.84 SMN1; SMN2 (0.43) GRM5MEN1NPC1KMT2A
SCHEMBL3813937 0.83 GRM5 (0.39) GRM5MAPT

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