SCHEMBL3812865

SCHEMBL3812865

Cc1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GRM5 P41594 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL3816431 0.93 NOTUM (0.43) NOTUMHRH4HRH3HTTGABRA2
SCHEMBL3813178 0.92 ALDH1A1 (0.40) NOTUMDRD2DRD4ALDH1A1TSHR
SCHEMBL3817105 0.89 SLC22A12 (0.40) NOTUMALDH1A1HRH4HRH3HTT
SCHEMBL3820694 0.89 NOTUM (0.40) NOTUMDRD2DRD4ALDH1A1LMNA
SCHEMBL3812491 0.88 NOTUM (0.39) NOTUMALDH1A1TSHRLMNANPSR1
SCHEMBL3813190 0.88 SMN1; SMN2 (0.39) ALDH1A1TSHRLMNANPSR1GAA
SCHEMBL3817114 0.87 NOTUM (0.42) NOTUMDRD2LMNA
SCHEMBL3810974 0.86 NOTUM (0.43) NOTUMDRD2DRD4ALDH1A1TSHR
SCHEMBL3815819 0.86 NOTUM (0.43) NOTUMALDH1A1TSHRLMNAHRH4
SCHEMBL3815822 0.86 ROCK1 (0.36) NOTUMDRD2DRD4LMNA

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