SCHEMBL3819293

SCHEMBL3819293

CC1c2ccccc2CCN1C(=O)c1cc2c([N+](=O)[O-])cc(Br)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.40
TRPC6 Q9Y210 2/20 0.40
RIPK1 Q13546 1/20 0.40
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
DRD1 P21728 1/20 0.39
GRM5 P41594 4/20 0.39
HPGD P15428 1/20 0.39
SPR P35270 3/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3814391 1.00 TRPC3 (0.40) TRPC3TRPC6RIPK1HTTNCOA1
SCHEMBL3815336 0.90 GAA (0.44) TRPC3TRPC6RIPK1HTTNCOA1
SCHEMBL3816553 0.90 GAA (0.44) TRPC3TRPC6RIPK1HTTNCOA1
SCHEMBL3812614 0.88 PARP1 (0.38) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL3814941 0.86 TRPC3 (0.43) TRPC3TRPC6RIPK1HTTDRD1
SCHEMBL3816778 0.86 TRPC3 (0.43) TRPC3TRPC6RIPK1HTTDRD1
SCHEMBL3819302 0.84 GRM5 (0.40) HTTNCOA1SMN1; SMN2NCOA3DRD1
SCHEMBL3820355 0.84 HTT (0.33) HTTNCOA1SMN1; SMN2NCOA3HPGD
SCHEMBL3821167 0.84 HPGD (0.55) HTTSMN1; SMN2GRM5HPGDGAA
SCHEMBL4025530 0.83 TRPC3 (0.41) TRPC3TRPC6RIPK1HTTDRD1

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