SCHEMBL4635192

SCHEMBL4635192

CC1(C)CC(=O)c2ccc(C#Cc3nncs3)nc2C1.CC1(C)CCc2nc(C#Cc3nncs3)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.53
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4333415 0.91 GRM5 (0.62) GRM5
SCHEMBL4337208 0.90 CYP2C19 (0.49) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL5307680 0.83 GRM5 (0.38) GRM5
SCHEMBL4334628 0.77 GRM5 (0.58) GRM5
SCHEMBL4325814 0.74 GRM5 (0.62) GRM5
SCHEMBL4324083 0.73 GRM5 (0.61) GRM5
SCHEMBL4333936 0.73 CYP2C19 (0.56) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4636391 0.72 GRM5 (0.54) GRM5CYP2C19
SCHEMBL4329864 0.72 CYP2C19 (0.48) GRM5CYP2C19ALDH1A1HTTMAOA
SCHEMBL4330084 0.72 GRM5 (0.62) GRM5

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