SCHEMBL3821118

SCHEMBL3821118

CC1c2ccc3ncccc3c2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
P2RX7 Q99572 4/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STAT3 P40763 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GRM5 P41594 3/20 0.34
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
CHRM1 P11229 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2B P41595 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL3816593 0.89 GRM5 (0.38) FNTAFNTBP2RX7MAPK1NPSR1
SCHEMBL3820067 0.84 DRD1 (0.42) P2RX7MAPK1NPSR1MAPTALDH1A1
SCHEMBL3820036 0.83 KLKB1 (0.38) P2RX7STAT3ALDH1A1GRM5F11
SCHEMBL3817228 0.83 TRPC3 (0.42) P2RX7MAPTALDH1A1GRM5F11
SCHEMBL3813529 0.83 F11 (0.40) P2RX7MAPK1NPSR1MAPTALDH1A1
SCHEMBL3815643 0.83 MAPT (0.38) P2RX7MAPK1NPSR1STAT3MAPT
SCHEMBL3811199 0.83 KLKB1 (0.45) P2RX7STAT3GRM5F11KLKB1
SCHEMBL3816988 0.82 F11 (0.39) P2RX7MAPK1NPSR1STAT3GRM5
SCHEMBL3818785 0.81 DRD1 (0.36) P2RX7MAPK1NPSR1MAPTALDH1A1
SCHEMBL3815634 0.81 MAPK1 (0.34) MAPK1NPSR1MAPTALDH1A1GRM5

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