SCHEMBL3817828

SCHEMBL3817828

CC(C)NC(=O)c1ccc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
HDAC6 Q9UBN7 4/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
ESR2 Q92731 4/20 0.33
ESR1 P03372 3/20 0.33
POLB P06746 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 5/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL3819334 0.90 NR1H2 (0.37) NR1H2ALDH1A1TDP1GAAMAPT
SCHEMBL3818185 0.89 NR1H2 (0.37) NR1H2ALDH1A1MAPTITGB2ICAM1
SCHEMBL3816843 0.88 NR1H2 (0.36) NR1H2ALDH1A1TDP1GAAMAPT
SCHEMBL3817831 0.85 NAMPT (0.36) NR1H2ALDH1A1TDP1GAAMAPT
SCHEMBL929667 0.85 ALDH1A1 (0.55) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL3816606 0.85 HSD17B10 (0.36) NR1H2ALDH1A1TDP1GAAMAPT
SCHEMBL3813232 0.82 ALDH1A1 (0.40) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL3820097 0.82 ALDH1A1 (0.40) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL3812876 0.80 ALDH1A1 (0.38) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL3820003 0.80 ALDH1A1 (0.34) ALDH1A1TDP1GAAMAPTNPC1

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
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