SCHEMBL3813232

SCHEMBL3813232

Cc1ccc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 4/20 0.37
ESR1 P03372 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 9/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.35
BAD Q92934 1/20 0.35

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
SCHEMBL3820097 0.89 ALDH1A1 (0.40) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3812876 0.87 ALDH1A1 (0.38) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3810530 0.87 ALDH1A1 (0.40) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL3819334 0.85 NR1H2 (0.37) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3815369 0.84 ALDH1A1 (0.36) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3817189 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3816843 0.83 NR1H2 (0.36) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL929448 0.83 ALDH1A1 (0.60) ALDH1A1TSHRTDP1GAAMAPT
SCHEMBL3820350 0.83 P2RX7 (0.44) ALDH1A1TSHRLMNATDP1GAA
SCHEMBL3815798 0.83 GRM5 (0.37) ALDH1A1TSHRLMNATDP1GAA

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