SCHEMBL3815748

SCHEMBL3815748

CN1c2cccc(Cl)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
AKT1 P31749 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP2D6 P10635 2/20 0.32
GRM5 P41594 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 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
SCHEMBL3815573 0.91 NOTUM (0.39) NOTUMDRD2DRD4AKT1KDM4E
SCHEMBL3811200 0.91 GRM5 (0.35) NOTUMAKT1KDM4EALDH1A1TSHR
SCHEMBL13720475 0.90 NOTUM (0.40) NOTUMHTR2AHTR2CAKT1P2RX7
SCHEMBL3821315 0.90 NOTUM (0.40) NOTUMDRD4HTR2AHTR2CAKT1
SCHEMBL3819674 0.88 NOTUM (0.42) NOTUMDRD2DRD4HTR2AHTR2C
SCHEMBL3815438 0.88 NOTUM (0.43) NOTUMAKT1P2RX7ALDH1A1TSHR
SCHEMBL3812606 0.88 CCKBR (0.31) KDM4EALDH1A1TSHRLMNATP53
SCHEMBL3812674 0.87 F11 (0.37) NOTUMKDM4EALDH1A1LMNATP53
SCHEMBL3811930 0.86 PDCD1 (0.38) DRD2DRD4AKT1CYP2D6GRM5
SCHEMBL3813190 0.85 SMN1; SMN2 (0.39) ALDH1A1TSHRLMNANPSR1RAB9A

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