SCHEMBL4686172

SCHEMBL4686172

CC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(C#N)c4)s3)nc2C1.O=C1CC=Cc2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.34
CYP2C19 P33261 1/20 0.30
PGR P06401 1/20 0.30
POLB P06746 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
SCHEMBL4419922 0.88 GRM5 (0.42) GRM5CYP2C19PGRPOLB
SCHEMBL4432498 0.78 PIK3CD (0.40) GRM5CYP2C19
SCHEMBL4426224 0.78 PGR (0.47) GRM5CYP2C19PGRPOLB
SCHEMBL4686013 0.77
SCHEMBL4423520 0.77 WRN (0.40) CYP2C19
SCHEMBL4426157 0.76 CYP2C19 (0.44) GRM5CYP2C19
SCHEMBL4423877 0.76 WRN (0.45) GRM5CYP2C19
SCHEMBL4421759 0.76 PIK3CD (0.46) GRM5CYP2C19
SCHEMBL13707060 0.75 CYP2C19 (0.47) GRM5CYP2C19PGRPOLB
SCHEMBL4425803 0.74 GAA (0.41) GRM5CYP2C19POLB

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