SCHEMBL3813403

SCHEMBL3813403

COc1ccc(-c2cccc3c2CCN(C(=O)c2cc4ccc(Br)cn4n2)C3C)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
KLKB1 P03952 5/20 0.36
GPR183 P32249 3/20 0.35
F11 P03951 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
FFAR2 O15552 2/20 0.34
CYP2C8 P10632 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3819494 0.90 KLKB1 (0.39) GRM5SCDSCD5KLKB1F11
SCHEMBL1010097 0.89 GRM5 (0.51) GRM5
SCHEMBL3815259 0.89 ALDH1A1 (0.37) GRM5KLKB1F11
SCHEMBL3813318 0.87 GRM5 (0.39) GRM5KLKB1F11FFAR2
SCHEMBL3816613 0.86 KLKB1 (0.38) KLKB1F11
SCHEMBL3812597 0.85 KLKB1 (0.41) GRM5KLKB1F11
SCHEMBL3818560 0.85 DRD1 (0.40) KLKB1
SCHEMBL3811951 0.85 ADRA2A (0.35) GRM5SCDKLKB1F11
SCHEMBL3819025 0.85 DRD1 (0.40) GRM5KLKB1HCRTR1HCRTR2BRD4
SCHEMBL3818159 0.85 DRD2 (0.35) GRM5KLKB1F11

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