SCHEMBL4635765

SCHEMBL4635765

CC1(C)CC(=O)c2ccc(C#Cc3cnco3)nc2C1.O=C1CCCc2nc(C#Cc3cnc(-c4ccccc4)o3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 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
SCHEMBL4634810 0.93 GRM5 (0.38) GRM5MAOAMAOB
SCHEMBL4329069 0.88 GRM5 (0.44) GRM5MAOAMAOBCYP2C19ALDH1A1
SCHEMBL4337979 0.84 GRM5 (0.60) GRM5MAPT
SCHEMBL4340468 0.82 CYP2C19 (0.49) GRM5MAOAMAOBCYP2C19ALDH1A1
SCHEMBL4328414 0.78 GRM5 (0.58) GRM5
SCHEMBL4340475 0.74 GRM5 (0.64) GRM5
SCHEMBL4634801 0.74 GRM5 (0.56) GRM5MAOAMAOBCYP2C19ALDH1A1
SCHEMBL4635073 0.73 GRM5 (0.42) GRM5
SCHEMBL4635243 0.70 GRM5 (0.41) GRM5MAOAMAOBCYP2C19ALDH1A1
SCHEMBL13707074 0.69 CYP2C19 (0.47) GRM5MAOAMAOBCYP2C19ALDH1A1

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 claimed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed