SCHEMBL3820089

SCHEMBL3820089

O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(-c3ccc(F)nc3)cnc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.44
ALDH1A1 P00352 3/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
POLB P06746 2/20 0.41
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDK2 Q15119 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 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
SCHEMBL3820689 0.89 P2RX7 (0.49) P2RX7HDAC4HDAC1HDAC6PDK2
SCHEMBL929941 0.88 ALDH1A1 (0.56) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3817078 0.88 P2RX7 (0.42) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3821362 0.84 ALDH1A1 (0.41) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3817796 0.82 P2RX7 (0.41) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3820350 0.81 P2RX7 (0.44) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL927731 0.80 P2RX7 (0.49) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3818203 0.80 TACR3 (0.40) P2RX7ALDH1A1ESR2ESR1POLB
SCHEMBL3819173 0.77 P2RX7 (0.50) P2RX7
SCHEMBL3813994 0.76 P2RX7 (0.51) P2RX7ALDH1A1ESR2ESR1POLB

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