SCHEMBL3814218

SCHEMBL3814218

CC1c2ccc3occc3c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
ESR2 Q92731 2/20 0.33
GRM5 P41594 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3811234 0.89 MAPK1 (0.33) ALDH1A1MAPK1HTTGAAMEN1
SCHEMBL1010450 0.86 ESR2 (0.49) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3820250 0.84 ALDH1A1 (0.36) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3819045 0.84 GRM5 (0.36) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3811252 0.83 HTT (0.33) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3819523 0.83 HTT (0.40) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3817104 0.82 ALDH1A1 (0.36) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3820352 0.82 GRM5 (0.38) GRM5MAPT
SCHEMBL3811359 0.81 ALDH1A1 (0.37) ALDH1A1ESR2GRM5ESR1POLB
SCHEMBL3820066 0.81 ALDH1A1 (0.36) ALDH1A1ESR2GRM5ESR1POLB

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