SCHEMBL3820261

SCHEMBL3820261

CN1c2cc(Br)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GFER P55789 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B3 P37058 1/20 0.33
AHR P35869 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
SCHEMBL3817105 0.92 SLC22A12 (0.40) GRM5NOTUMHRH4HRH3SLC22A12
SCHEMBL13719819 0.92 GRM5 (0.41) GRM5NOTUMHTR2AHTR2CHTR2B
SCHEMBL3813937 0.92 GRM5 (0.39) GRM5CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL3810974 0.92 NOTUM (0.43) GRM5NOTUMHTR2AHTR2CHTR2B
SCHEMBL3813178 0.89 ALDH1A1 (0.40) GRM5NOTUMHRH4HRH3LMNA
SCHEMBL3819391 0.88 DRD2 (0.38) GRM5NOTUMHTR2AHTR2CHRH4
SCHEMBL3813190 0.87 SMN1; SMN2 (0.39) LMNANPSR1SMN1; SMN2HSD17B3ALDH1A1
SCHEMBL3816462 0.86 MAPT (0.36) GRM5NOTUMNFKB1LMNASMN1; SMN2
SCHEMBL13720384 0.86 NOTUM (0.40) GRM5NOTUMSLC22A12HSD17B3ALDH1A1
SCHEMBL3816431 0.85 NOTUM (0.43) GRM5NOTUMHTR2AHTR2CHRH4

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