SCHEMBL3815943

SCHEMBL3815943

COc1cc(Br)cn2nc(C(=O)O)cc12.NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
FAAH O00519 3/20 0.37
SRD5A2 P31213 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
P2RX5 Q93086 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD11B2 P80365 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
SCHEMBL3816741 0.88 SRD5A2 (0.36) CNR2SRD5A2ALDH1A1MEN1KMT2A
SCHEMBL3813472 0.86 TSHR (0.33) CNR2ALDH1A1P2RX4KDM4EHSD11B1
SCHEMBL3816090 0.83 L3MBTL1 (0.40) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL3815358 0.81 LMNA (0.34) CNR2ALDH1A1HTTTSHRLMNA
SCHEMBL3814191 0.78 HSD11B1 (0.35) CNR2ALDH1A1P2RX4P2RX7KDM4E
SCHEMBL3815221 0.75 NR1H4 (0.36) CNR2ALDH1A1P2RX7HSD11B1
SCHEMBL3820671 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AP2RX4P2RX7
SCHEMBL28521561 0.70 RPA1 (0.40) ALDH1A1KMT2AHPGDKDM4EL3MBTL1
SCHEMBL3818150 0.69 NR1H4 (0.39) CNR2ALDH1A1P2RX7L3MBTL1HSD11B1
SCHEMBL13719931 0.69 CNR2 (0.43) CNR2FAAHMEN1KMT2APKM

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