SCHEMBL3816485

SCHEMBL3816485

CC1c2occ(Cl)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GRM5 P41594 8/20 0.34
ALDH1A1 P00352 4/20 0.34
ESR2 Q92731 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL3814963 0.90 GRM5 (0.34) NPC1RAB9AGRM5ALDH1A1L3MBTL1
SCHEMBL3812824 0.90 ALDH1A1 (0.35) NPC1RAB9AGRM5ALDH1A1ESR2
SCHEMBL1863986 0.85 ESR2 (0.51) GRM5ALDH1A1ESR2TDP1L3MBTL1
SCHEMBL3815233 0.85 ALDH1A1 (0.32) NPC1RAB9AGRM5ALDH1A1L3MBTL1
SCHEMBL3813205 0.82 HTT (0.37) NPC1RAB9AGRM5ALDH1A1ESR2
SCHEMBL3820332 0.81 GRM5 (0.33) NPC1RAB9AGRM5ALDH1A1TDP1
SCHEMBL3819401 0.81 KMT2A (0.41) RAB9AGRM5ALDH1A1TSHRHTT
SCHEMBL3814051 0.80 CFTR (0.36) NPC1RAB9AGRM5ALDH1A1ESR2
SCHEMBL3812059 0.80 HTT (0.40) RAB9AGRM5ALDH1A1ESR2TDP1
SCHEMBL3820250 0.79 ALDH1A1 (0.36) NPC1RAB9AGRM5ALDH1A1ESR2

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