SCHEMBL3817045

SCHEMBL3817045

O=C(c1cc2ccc(Cl)cn2n1)N1CCn2cc(-c3cccnc3F)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.39
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TACR3 P29371 2/20 0.34
NAMPT P43490 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL3815154 0.90 ALDH1A1 (0.38) P2RX7ALDH1A1GRM5KDM4ENPC1
SCHEMBL929504 0.87 GRM5 (0.47) P2RX7ALDH1A1GRM5KDM4ETSHR
SCHEMBL3810587 0.83 P2RX7 (0.46) P2RX7
SCHEMBL3816876 0.83 P2RX7 (0.50) P2RX7TACR3
SCHEMBL3820174 0.82 P2RX7 (0.42) P2RX7ALDH1A1GRM5KDM4ENPC1
SCHEMBL3822949 0.81 P2RX7 (0.33) P2RX7ALDH1A1GRM5TACR3
SCHEMBL930490 0.80 ALDH1A1 (0.54) ALDH1A1GRM5TSHR
SCHEMBL3815558 0.79 P2RX7 (0.53) P2RX7ALDH1A1GRM5KDM4ENPC1
SCHEMBL3810702 0.77 SCD (0.50) P2RX7ALDH1A1GRM5KDM4ENPC1
SCHEMBL3816866 0.76 NAMPT (0.44) P2RX7ALDH1A1GRM5KDM4ENPC1

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