SCHEMBL4678329

SCHEMBL4678329

CC1(C)CCc2nc(-c3cc(-c4ccccc4)nn3-c3cccnc3)ccc2C1=O.CC1(C)CCc2nc(-c3cc(-c4cccnc4)nn3-c3cccnc3)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.44
GRM5 P41594 2/20 0.41
GRM1 Q13255 2/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 1/20 0.35
MARS1 P56192 1/20 0.34
EPHX2 P34913 1/20 0.34
GLO1 Q04760 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
SCHEMBL4686026 0.99 USP8 (0.42) USP8GRM5GRM1CA12CA1
SCHEMBL4683224 0.97 GRM1 (0.42) USP8GRM5GRM1CA12CA1
SCHEMBL4742814 0.91 GRM5 (0.47) USP8GRM5CYP2C9KDM4EMAPT
SCHEMBL4684302 0.84 GRM5 (0.41) GRM5KDM4EMAPT
SCHEMBL4683277 0.82 USP8 (0.45) USP8GRM5GRM1CA12CA1
SCHEMBL4680957 0.81 USP8 (0.43) USP8GRM5GRM1CA12CA1
SCHEMBL13706965 0.81 GRM5 (0.49) GRM5GRM1CYP1A2CYP3A4CYP2C19
SCHEMBL4683252 0.80 USP8 (0.44) USP8GRM5GRM1CA12CA1
SCHEMBL4683591 0.80 GRM5 (0.38) GRM5KDM4EMAPT
SCHEMBL4683584 0.79 USP8 (0.42) USP8GRM1CA12CA1CA2

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