SCHEMBL3811580

SCHEMBL3811580

O=C(c1cc2ccc(Cl)cn2n1)N1CCc2cc(F)ccc2C1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 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
SCHEMBL3818286 0.93 OPRK1 (0.36) HTR2AHTR2CMEN1LMNATSHR
SCHEMBL3815005 0.89 POLB (0.39) ESR1ESR2MEN1LMNATSHR
SCHEMBL3811265 0.88 ESR1 (0.39) MTNR1BHTR2AHTR2CESR1ESR2
SCHEMBL3821156 0.88 DRD1 (0.39) MTNR1BHTR2AHTR2CMEN1MAPK1
SCHEMBL3810869 0.85 MTNR1B (0.43) MTNR1BCYP2D6OPRK1
SCHEMBL3819840 0.84 KMT2A (0.36) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL1009875 0.84 GRM5 (0.46) MTNR1BESR1ESR2MEN1LMNA
SCHEMBL3813134 0.83 KLKB1 (0.39) HTR2AHTR2CMEN1LMNATSHR
SCHEMBL4024373 0.83 PARP1 (0.44) HTR2AHTR2CMEN1MAPK1KMT2A
SCHEMBL3814958 0.83 PARP1 (0.44) HTR2AHTR2CMEN1MAPK1KMT2A

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