SCHEMBL3821046

SCHEMBL3821046

Cc1nc2c3c(ccc2s1)C(C)N(C(=O)c1cc2ccc(Cl)cn2n1)CC3

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
MGLL Q99685 1/20 0.34
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
TPH1 P17752 4/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3820245 0.90 GRM5 (0.37) GRM5HCRTR1HCRTR2
SCHEMBL1009122 0.86 GRM5 (0.54) GRM5TPH1
SCHEMBL3817661 0.83 NPSR1 (0.33) GRM5MAPK1NPSR1MEN1KMT2A
SCHEMBL3815643 0.82 MAPT (0.38) GRM5MAPK1NPSR1
SCHEMBL4196332 0.82 FNTA (0.30)
SCHEMBL3820067 0.81 DRD1 (0.42) GRM5MAPK1NPSR1
SCHEMBL3813529 0.81 F11 (0.40) GRM5MAPK1NPSR1MEN1KMT2A
SCHEMBL3816988 0.80 F11 (0.39) GRM5MAPK1NPSR1
SCHEMBL1009988 0.79 GRM5 (0.54) GRM5KMT2A
SCHEMBL3818785 0.79 DRD1 (0.36) GRM5MGLLMAPK1NPSR1

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