SCHEMBL3814566

SCHEMBL3814566

Cc1nnc2n1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.48
TACR3 P29371 4/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3818093 0.87 P2RX7 (0.43) P2RX7TACR3ALDH1A1LMNATSHR
SCHEMBL3815443 0.87 P2RX7 (0.60) P2RX7TACR3KCNH2
SCHEMBL3819578 0.86 P2RX7 (0.47) P2RX7TACR3KCNH2
SCHEMBL3812459 0.86 P2RX7 (0.51) P2RX7TACR3
SCHEMBL3820997 0.85 DPP4 (0.47) P2RX7TACR3KCNH2ALDH1A1LMNA
SCHEMBL3818664 0.84 P2RX7 (0.48) P2RX7ALDH1A1LMNATSHR
SCHEMBL3815973 0.83 P2RX7 (0.47) P2RX7TACR3KCNH2
SCHEMBL3815490 0.83 P2RX7 (0.45) P2RX7TACR3KCNH2
SCHEMBL3810577 0.83 TACR3 (0.67) P2RX7TACR3
SCHEMBL3810732 0.83 TACR3 (0.47) P2RX7TACR3KCNH2

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