SCHEMBL3811265

SCHEMBL3811265

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MTNR1B P49286 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GRM5 P41594 4/20 0.35
HSD17B10 Q99714 2/20 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
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 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
SCHEMBL3815184 0.92 ESR1 (0.37) ESR1ESR2ALDH1A1POLBHTR2A
SCHEMBL3811580 0.88 MTNR1B (0.36) ESR1ESR2ALDH1A1MTNR1BHTR2A
SCHEMBL3812280 0.88 ESR1 (0.39) ESR1ESR2ALDH1A1POLBMTNR1B
SCHEMBL3816766 0.88 GRM5 (0.39) ESR1ESR2ALDH1A1GRM5HSD17B10
SCHEMBL3819542 0.85 MTNR1B (0.43) ESR1ESR2ALDH1A1POLBMTNR1B
SCHEMBL1010581 0.84 ALDH1A1 (0.57) ESR1ESR2ALDH1A1POLBGRM5
SCHEMBL3820038 0.84 GRM5 (0.37) ESR1ESR2ALDH1A1POLBHTR2A
SCHEMBL3818770 0.83 ALDH1A1 (0.36) ESR1ESR2ALDH1A1POLBHTR2A
SCHEMBL3815100 0.82 PARP1 (0.42) ESR1ESR2ALDH1A1POLBHTR2A
SCHEMBL4173155 0.82 PARP1 (0.42) ESR1ESR2ALDH1A1POLBHTR2A

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