SCHEMBL3815380

SCHEMBL3815380

CCN(CC)c1cccc2c1C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
RIPK1 Q13546 1/20 0.33
GRIN2C Q14957 2/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD1 P21728 1/20 0.32
KRAS P01116 1/20 0.31
PARP1 P09874 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31

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
SCHEMBL3812987 0.90 DRD1 (0.37) GRM5RIPK1HTTDRD1PARP1
SCHEMBL3817554 0.87 GRM5 (0.33) GRM5HTTHPGDDRD1KRAS
SCHEMBL1010590 0.86 GRM5 (0.51) GRM5HPGD
SCHEMBL3819392 0.84 RIPK1 (0.46) GRM5RIPK1HTTPARP1LMNA
SCHEMBL3812215 0.84 MAPK1 (0.35) GRM5RIPK1GRIN2CHTTDRD1
SCHEMBL3817187 0.82 MAPK1 (0.35) GRM5RIPK1HTTKRASPARP1
SCHEMBL3815639 0.81 TRPC3 (0.44) GRM5RIPK1DRD1KRASPARP1
SCHEMBL3813334 0.81 TRPC3 (0.44) GRM5RIPK1DRD1KRASPARP1
SCHEMBL3816775 0.81 TRPC3 (0.44) GRM5RIPK1DRD1KRASPARP1
SCHEMBL3815429 0.80 HTT (0.40) GRM5GRIN2CHTTSMN1; SMN2DRD1

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