SCHEMBL4680738

SCHEMBL4680738

CC1(C)CCc2nc(-c3nc(-c4ccccc4)c(F)n3-c3cccnc3)ccc2C1=O.CC1(C)CCc2nc(-c3nc(-c4cccnc4)c(F)n3-c3cccnc3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
GRM1 Q13255 2/20 0.37
ALOX12 P18054 1/20 0.35
MDM2 Q00987 1/20 0.34
CYP11B2 P19099 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AKT1 P31749 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
G6PD P11413 1/20 0.33
MAPT P10636 4/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
GSR P00390 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
SCHEMBL4683600 0.98 GRM5 (0.40) GRM5GRM1ALOX12MDM2CYP11B2
SCHEMBL4683064 0.97 GRM1 (0.39) GRM5GRM1ALOX12MDM2CYP11B2
SCHEMBL4679352 0.91 GRM5 (0.46) GRM5CYP2C19ALDH1A1
SCHEMBL6103711 0.85 GRM5 (0.41) GRM5MDM2CYP1A2CYP3A4CYP2C9
SCHEMBL4682564 0.80 GRM5 (0.37) GRM5MDM2AKT1CYP1A2CYP3A4
SCHEMBL6103251 0.80 GRM5 (0.46) GRM5MEN1KMT2AAKT1CYP1A2
SCHEMBL15071808 0.79 CYP11B2 (0.36) GRM1CYP11B2AKT1CYP11B1MAPT
SCHEMBL13706965 0.79 GRM5 (0.49) GRM5GRM1CYP11B2CYP11B1CYP1A2
SCHEMBL4678329 0.76 USP8 (0.44) GRM5GRM1CYP11B2MEN1KMT2A
SCHEMBL4686026 0.75 USP8 (0.42) GRM5GRM1CYP11B2MEN1KMT2A

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-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed