SCHEMBL3812937

SCHEMBL3812937

CN1c2c(F)cccc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.39
ALDH1A1 P00352 3/20 0.38
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
SCD5 Q86SK9 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3815961 0.91 GRM5 (0.41) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3820753 0.89 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3817198 0.88 HRH4 (0.33) GRM5ALDH1A1POLBCTDSP1L3MBTL1
SCHEMBL13720090 0.88 NOTUM (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3811889 0.88 GRM5 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3816355 0.87 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815655 0.86 GRM5 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL928643 0.85 GRM5 (0.56) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3820393 0.85 GRM5 (0.37) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3811207 0.84 NOTUM (0.40) GRM5ALDH1A1ESR2ESR1POLB

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
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