SCHEMBL3813205

SCHEMBL3813205

CC1c2oc(Cl)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM5 P41594 5/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13719449 0.90 MEN1 (0.35) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3812059 0.90 HTT (0.40) HTTLMNAMAPK1GRM5MEN1
SCHEMBL13720192 0.85 HTT (0.39) HTTLMNAMAPK1GRM5MEN1
SCHEMBL1869352 0.84 GRM5 (0.52) GRM5MEN1KMT2AGAATSHR
SCHEMBL3819401 0.83 KMT2A (0.41) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3814000 0.82 GRM5 (0.39) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3816485 0.82 NPC1 (0.34) HTTLMNAMAPK1GRM5RAB9A
SCHEMBL3817616 0.82 HTT (0.40) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3815429 0.82 HTT (0.40) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3813334 0.81 TRPC3 (0.44) GRM5RAB9ANPC1

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 2 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