SCHEMBL3812428

SCHEMBL3812428

CC1c2cccc(-c3cccnc3F)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.35
KLKB1 P03952 5/20 0.34
F11 P03951 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
STAT3 P40763 1/20 0.34
GRM1 Q13255 2/20 0.32
P2RX7 Q99572 3/20 0.31
TRPC3 Q13507 1/20 0.30
TRPC6 Q9Y210 1/20 0.30

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
SCHEMBL13719700 0.90 GRM5 (0.34) GRM5KLKB1F11ALDH1A1STAT3
SCHEMBL3820036 0.90 KLKB1 (0.38) GRM5KLKB1F11ALDH1A1STAT3
SCHEMBL3812597 0.89 KLKB1 (0.41) GRM5KLKB1F11ALDH1A1STAT3
SCHEMBL1010952 0.87 GRM5 (0.50) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL13719914 0.87 ALDH1A1 (0.37) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3821030 0.87 GRM5 (0.38) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3815259 0.86 ALDH1A1 (0.37) GRM5KLKB1F11ALDH1A1ESR1
SCHEMBL3820066 0.86 ALDH1A1 (0.36) GRM5KLKB1F11ALDH1A1ESR1
SCHEMBL3811951 0.85 ADRA2A (0.35) GRM5KLKB1F11P2RX7
SCHEMBL3818159 0.85 DRD2 (0.35) GRM5KLKB1F11ALDH1A1TRPC3

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