SCHEMBL4635243

SCHEMBL4635243

CC1(C)CC(=O)c2ccc(C#Cc3nc(F)c(-c4cccnc4)o3)nc2C1.O=C1CCCc2nc(C#Cc3nc(F)c(-c4cccnc4)o3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.41
ALPL P05186 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
WRN Q14191 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL4322585 0.95 CYP2C19 (0.39) GRM5ALPLCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4322600 0.91 GRM5 (0.48) GRM5
SCHEMBL4339114 0.85 ALDH1A1 (0.48) GRM5CYP2C19ALDH1A1SMN1; SMN2HPGD
SCHEMBL4330704 0.82 GRM5 (0.53) GRM5
SCHEMBL4335376 0.81 GRM5 (0.59) GRM5ALDH1A1NPSR1
SCHEMBL4331727 0.79 CYP2C19 (0.40) GRM5ALPLCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4321156 0.77 CYP2C19 (0.39) GRM5ALPLCYP2C19ALDH1A1HPGD
SCHEMBL5313596 0.77 CYP11B1 (0.39) GRM5CYP2C19ALDH1A1HPGDHTT
SCHEMBL13706915 0.77 CYP2C19 (0.42) GRM5ALPLCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4335429 0.74 GRM5 (0.50) GRM5ALDH1A1HPGDNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931635-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-06-18 EP disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed