SCHEMBL3812704

SCHEMBL3812704

CC1c2cccnc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.46
TRPC3 Q13507 1/20 0.42
TRPC6 Q9Y210 1/20 0.42
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3817228 0.88 TRPC3 (0.42) GRM5TRPC3TRPC6ALDH1A1MAPT
SCHEMBL3815351 0.85 GRM5 (0.38) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3818045 0.85 GRM5 (0.46) GRM5ALDH1A1GAA
SCHEMBL1010563 0.85 GRM5 (0.65) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3815639 0.85 TRPC3 (0.44) GRM5TRPC3TRPC6NPC1RAB9A
SCHEMBL3816775 0.85 TRPC3 (0.44) GRM5TRPC3TRPC6NPC1RAB9A
SCHEMBL3813334 0.85 TRPC3 (0.44) GRM5TRPC3TRPC6NPC1RAB9A
SCHEMBL3819045 0.84 GRM5 (0.36) GRM5TRPC3TRPC6ALDH1A1TDP1
SCHEMBL3816593 0.83 GRM5 (0.38) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3812428 0.83 GRM5 (0.35) GRM5TRPC3TRPC6ALDH1A1ESR1

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