SCHEMBL4634801

SCHEMBL4634801

CC1(C)CC(=O)c2ccc(C#Cc3ccccn3)nc2C1.O=C1CCCc2nc(C#Cc3ccccn3)ccc21

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.56
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4331714 0.93 GRM5 (0.55) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4342418 0.88 GRM5 (0.70) GRM5
SCHEMBL4327921 0.78 GRM5 (0.63) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4332879 0.75 GRM5 (0.73) GRM5
SCHEMBL4330070 0.74 CYP2C19 (0.50) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4635765 0.74 GRM5 (0.44) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4325863 0.74 GRM5 (0.58) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL2717904 0.74 GRM5 (0.76) GRM5ALDH1A1HTTMAOAMAOB
SCHEMBL4635243 0.73 GRM5 (0.41) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL5039146 0.73 CYP2C19 (0.48) GRM5CYP2C19ALDH1A1HTTMAOA

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