SCHEMBL3816017

SCHEMBL3816017

O=C(c1cc2ccc(Br)cn2n1)N1CCc2cc(N3CCOCC3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
ESR2 Q92731 1/20 0.44
ABHD6 Q9BV23 3/20 0.42
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD4 P21917 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
GRM5 P41594 5/20 0.40
BCL2 P10415 1/20 0.40
BAD Q92934 1/20 0.40
AKR1C3 P42330 1/20 0.39
AOC3 Q16853 1/20 0.39
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL3819052 0.97 ABHD6 (0.44) HPGDTSHRESR2ABHD6TMEM97
SCHEMBL3815350 0.89 MEN1 (0.43) ABHD6TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL3813793 0.86 TMEM97 (0.45) ABHD6TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL3812989 0.86 ABHD6 (0.46) HPGDTSHRESR2ABHD6GRM5
SCHEMBL1010186 0.85 ESR2 (0.66) HPGDTSHRESR2GRM5
SCHEMBL3818172 0.82 ABHD6 (0.46) HPGDTSHRABHD6GRM5BCL2
SCHEMBL3817140 0.82 HPGD (0.42) HPGDTSHRESR2TMEM97SIGMAR1
SCHEMBL3815660 0.82 HPGD (0.42) HPGDTSHRESR2GRM5BCL2
SCHEMBL1009137 0.82 ESR2 (0.65) HPGDTSHRESR2ABHD6GRM5
SCHEMBL3821192 0.81 HPGD (0.38) HPGDTSHRESR2ABHD6GRM5

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