SCHEMBL3811296

SCHEMBL3811296

COc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.38
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
DRD1 P21728 4/20 0.38
DRD3 P35462 4/20 0.38
GRM5 P41594 2/20 0.37
HTR2A P28223 3/20 0.37
HTR1A P08908 1/20 0.36
DRD5 P21918 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
AKT1 P31749 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 2/20 0.34
POLB P06746 2/20 0.34
ESR2 Q92731 2/20 0.34

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
SCHEMBL3818411 0.89 GRM5 (0.40) MAPTGRM5AKT1ALDH1A1ESR1
SCHEMBL3819674 0.89 NOTUM (0.42) NOTUMMAPTDRD2DRD4DRD1
SCHEMBL3815387 0.87 GRM5 (0.39) NOTUMMAPTGRM5ALDH1A1ESR1
SCHEMBL13720475 0.87 NOTUM (0.40) NOTUMMAPTGRM5HTR2AHTR2C
SCHEMBL3811207 0.87 NOTUM (0.40) NOTUMMAPTGRM5HTR2AHTR2C
SCHEMBL928228 0.86 GRM5 (0.52) MAPTGRM5ALDH1A1ESR1POLB
SCHEMBL3816355 0.85 GRM5 (0.40) MAPTDRD2DRD4DRD1DRD3
SCHEMBL3820347 0.84 GRM5 (0.37) MAPTGRM5ALDH1A1ESR1POLB
SCHEMBL3810581 0.84 NOTUM (0.43) NOTUMMAPTGRM5HTR2CAKT1
SCHEMBL3821305 0.83 GRM5 (0.36) MAPTGRM5ALDH1A1ESR1POLB

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