SCHEMBL3818286

SCHEMBL3818286

O=C(c1cc2ccc(Cl)cn2n1)N1CCc2ccc(F)cc2C1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP2D6 P10635 2/20 0.34
PARP1 P09874 1/20 0.34
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 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
SCHEMBL3811580 0.93 MTNR1B (0.36) OPRK1HTR2AHTR2CALDH1A1CYP2D6
SCHEMBL3815184 0.89 ESR1 (0.37) HTR2AHTR2CALDH1A1CYP2D6HSD17B10
SCHEMBL3814958 0.88 PARP1 (0.44) OPRK1HTR2AHTR2CCYP2D6PARP1
SCHEMBL4024373 0.88 PARP1 (0.44) OPRK1HTR2AHTR2CCYP2D6PARP1
SCHEMBL3815005 0.88 POLB (0.39) OPRK1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3815399 0.85 OPRK1 (0.42) OPRK1HTR2AHTR2CCYP2D6PARP1
SCHEMBL1010566 0.84 GRM5 (0.46) OPRK1HTR2AHTR2CALDH1A1HSD17B10
SCHEMBL3819840 0.83 KMT2A (0.36) ALDH1A1PARP1HSD17B10MEN1KMT2A
SCHEMBL3821156 0.83 DRD1 (0.39) HTR2AHTR2CCYP2D6PARP1HSD17B10
SCHEMBL3813134 0.82 KLKB1 (0.39) HTR2AHTR2CALDH1A1HSD17B10MEN1

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