SCHEMBL4635284

SCHEMBL4635284

CC1(C)CCc2nc(C#Cc3nc(F)c(-c4cccnc4)[nH]3)ccc2C1=O.CC1(C)CCc2nc(C#Cn3cnc(-c4cccnc4)c3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
CYP2E1 P05181 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP2C19 P33261 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CYP3A4 P08684 1/20 0.30
PIM1 P11309 2/20 0.30

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
SCHEMBL4334716 0.89 GRM5 (0.53) GRM5
SCHEMBL4322594 0.89 GRM5 (0.51) GRM5CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13707070 0.78 GRM5 (0.41) GRM5HCRTR1HCRTR2PIM1
SCHEMBL4330065 0.75 GRM5 (0.48) GRM5
SCHEMBL4324014 0.74 GRM5 (0.46) GRM5CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL4321156 0.74 CYP2C19 (0.39) GRM5CYP2C19
SCHEMBL5406099 0.73 GRM5 (0.37) GRM5
SCHEMBL4330704 0.73 GRM5 (0.53) GRM5
SCHEMBL4329102 0.73 CYP2C19 (0.40) GRM5CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL4635307 0.70 GRM5 (0.41) GRM5CYP2E1CYP2A6CYP2C9CYP2B6

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