SCHEMBL3815973

SCHEMBL3815973

O=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(nnc2-c2ccsc2)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.47
TACR3 P29371 5/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3815725 0.89 P2RX7 (0.41) P2RX7TACR3KCNH2
SCHEMBL3812459 0.88 P2RX7 (0.51) P2RX7TACR3
SCHEMBL3819578 0.86 P2RX7 (0.47) P2RX7TACR3KCNH2
SCHEMBL929961 0.85 GRM5 (0.49) P2RX7TACR3
SCHEMBL3810732 0.84 TACR3 (0.47) P2RX7TACR3KCNH2
SCHEMBL3814566 0.83 P2RX7 (0.48) P2RX7TACR3KCNH2
SCHEMBL3817212 0.83 ALDH1A1 (0.33) P2RX7
SCHEMBL3815490 0.83 P2RX7 (0.45) P2RX7TACR3KCNH2
SCHEMBL3815389 0.83 P2RX7 (0.54) P2RX7TACR3
SCHEMBL3819173 0.82 P2RX7 (0.50) P2RX7TACR3

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