SCHEMBL3816593

SCHEMBL3816593

CC1c2ccc3ncccc3c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
STAT3 P40763 1/20 0.35
CCKBR P32239 1/20 0.35
ALDH1A1 P00352 3/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NMT1 P30419 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
P2RX7 Q99572 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 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
SCHEMBL3821118 0.89 FNTA (0.37) GRM5STAT3ALDH1A1FNTAFNTB
SCHEMBL1010783 0.87 GRM5 (0.52) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3819045 0.85 GRM5 (0.36) GRM5STAT3ALDH1A1ESR1POLB
SCHEMBL3812428 0.83 GRM5 (0.35) GRM5STAT3ALDH1A1P2RX7ESR1
SCHEMBL3817104 0.83 ALDH1A1 (0.36) GRM5STAT3ALDH1A1NPSR1ESR1
SCHEMBL3812704 0.83 GRM5 (0.46) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3812597 0.83 KLKB1 (0.41) GRM5STAT3ALDH1A1NPSR1MAPT
SCHEMBL13719914 0.82 ALDH1A1 (0.37) GRM5STAT3ALDH1A1NPSR1P2RX7
SCHEMBL3820066 0.82 ALDH1A1 (0.36) GRM5STAT3ALDH1A1NPSR1ESR1
SCHEMBL3816389 0.81 NPC1 (0.35) GRM5ALDH1A1P2RX7ESR1POLB

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