Sugi Predict

Sugi Predict / Compounds / SCHEMBL4683376

SCHEMBL4683376

SCHEMBL4683376

CC1(C)CCc2nc(-c3ncc(-c4cc(F)cc(N5CCCCC5)c4)s3)ccc2C1=O.CC1(C)CCc2nc(-n3cnc(-c4cccc(C#N)c4)c3)ccc2C1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.30
▸ GRM5 P41594 1/20 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
SCHEMBL4680845 0.84 PRKDC (0.34) GRM5
SCHEMBL4686098 0.80 GRM5 (0.44) BACE1GRM5
SCHEMBL4686465 0.80 GRM5 (0.38) BACE1GRM5
SCHEMBL4680546 0.80 GRM5 (0.44) BACE1GRM5
SCHEMBL4680658 0.78 SYK (0.35) GRM5
SCHEMBL4686336 0.77 CYP11B2 (0.40) BACE1GRM5
SCHEMBL4681286 0.75 MAPK8 (0.39) GRM5
SCHEMBL4684358 0.74 GRM5 (0.40) GRM5
SCHEMBL4683088 0.72 GRM5 (0.37) GRM5
SCHEMBL4433379 0.72 MAPT (0.39) 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-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