SCHEMBL3813372

SCHEMBL3813372

CC1c2ccc(C(=O)N3CCOCC3)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
ESR2 Q92731 2/20 0.43
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.38
AKR1C3 P42330 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3811886 0.93 TSHR (0.43) TSHRHPGDESR2KMT2AGLA
SCHEMBL3814198 0.90 PHGDH (0.42) HPGDKMT2AHSD11B1MEN1AKR1C3
SCHEMBL3816550 0.87 TSHR (0.38) TSHRHPGDESR2KMT2AMEN1
SCHEMBL1010643 0.86 ESR2 (0.63) TSHRHPGDESR2KMT2AALDH1A1
SCHEMBL3815429 0.86 HTT (0.40) KMT2AMEN1SMN1; SMN2LMNAMAPK1
SCHEMBL3816687 0.85 HTT (0.39) KMT2AHSD11B1MEN1SMN1; SMN2LMNA
SCHEMBL3815771 0.83 TSHR (0.43) TSHRHPGDESR2KMT2AALDH1A1
SCHEMBL3816662 0.83 PHGDH (0.43) HPGDKMT2AMEN1AKR1C3SMN1; SMN2
SCHEMBL3812280 0.82 ESR1 (0.39) ESR2KMT2AMEN1ALDH1A1ESR1
SCHEMBL3821192 0.81 HPGD (0.38) TSHRHPGDESR2KMT2AMEN1

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 3 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
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