SCHEMBL3815436

SCHEMBL3815436

CC1c2cccc(-c3ccoc3)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RIPK1 Q13546 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KLKB1 P03952 6/20 0.31
GRM5 P41594 2/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.31
F11 P03951 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL3816368 0.90 KLKB1 (0.35) KLKB1F11
SCHEMBL3813548 0.87 GRM5 (0.33) ALDH1A1L3MBTL1RIPK1NPC1RAB9A
SCHEMBL3818159 0.87 DRD2 (0.35) ALDH1A1NPC1RAB9AKLKB1GRM5
SCHEMBL1010558 0.87 ESR2 (0.47) ALDH1A1L3MBTL1RAB9AGRM5ESR1
SCHEMBL3816613 0.86 KLKB1 (0.38) KLKB1F11
SCHEMBL3819025 0.85 DRD1 (0.40) KLKB1GRM5
SCHEMBL3811359 0.85 ALDH1A1 (0.37) ALDH1A1L3MBTL1NPC1RAB9AGRM5
SCHEMBL3811951 0.85 ADRA2A (0.35) KLKB1GRM5F11
SCHEMBL3819045 0.85 GRM5 (0.36) ALDH1A1L3MBTL1NPC1RAB9AKLKB1
SCHEMBL3811283 0.84 HTT (0.36) ALDH1A1RAB9AGRM5ESR1ESR2

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