SCHEMBL3820194

SCHEMBL3820194

O=C(c1cc2ccc(Br)cn2n1)N1CCn2cccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ALDH1A1 P00352 7/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SPR P35270 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL3816763 0.87 ALDH1A1 (0.43) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL929343 0.83 ALDH1A1 (0.61) GRM5ALDH1A1TSHRESR2ESR1
SCHEMBL3816360 0.82 ALDH1A1 (0.40) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3820000 0.81 SCD (0.50) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3820097 0.81 ALDH1A1 (0.40) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3816744 0.81 HPGD (0.54) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3817189 0.80 ALDH1A1 (0.41) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3813232 0.79 ALDH1A1 (0.40) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3817010 0.79 NAMPT (0.42) GRM5ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3820186 0.79 NAMPT (0.44) GRM5ALDH1A1TSHRLMNAHSD17B10

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