SCHEMBL3816631

SCHEMBL3816631

COc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.42
KMT2A Q03164 4/20 0.42
MTNR1B P49286 2/20 0.40
GRM5 P41594 1/20 0.40
MTNR1A P48039 1/20 0.40
MEN1 O00255 2/20 0.40
GRIN2C Q14957 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3816513 0.92 GRIN2C (0.46) HTTMAPK1LMNAKMT2AMTNR1B
SCHEMBL3817616 0.90 HTT (0.40) HTTMAPK1LMNAKMT2AGRM5
SCHEMBL3815574 0.89 KMT2A (0.45) HTTMAPK1LMNAPARP1KMT2A
SCHEMBL3810629 0.87 HTT (0.57) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3810902 0.87 KMT2A (0.41) HTTMAPK1LMNAKMT2AGRM5
SCHEMBL3813622 0.87 HTT (0.39) HTTMAPK1LMNAKMT2AGRM5
SCHEMBL4173155 0.86 PARP1 (0.42) HTTMAPK1LMNAPARP1KMT2A
SCHEMBL3814000 0.86 GRM5 (0.39) HTTMAPK1LMNAKMT2AGRM5
SCHEMBL3815100 0.86 PARP1 (0.42) HTTMAPK1LMNAPARP1KMT2A
SCHEMBL3813334 0.85 TRPC3 (0.44) PARP1GRM5RAB9A

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