SCHEMBL4686182

SCHEMBL4686182

CC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(N5CCCCC5)c4)s3)nc2C1.Cc1cccc(-c2nnc(-c3ccc4c(n3)CCCC4=O)o2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 5/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
GRM5 P41594 1/20 0.30
MAP3K5 Q99683 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
SCHEMBL4422442 0.84 ALDH1A1 (0.40) PRKDCALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4686013 0.82
SCHEMBL4433379 0.81 MAPT (0.39) PRKDCALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL4423870 0.79 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4429744 0.77 MAPT (0.38) PRKDCALDH1A1HPGDKDM4ETSHR
SCHEMBL4426157 0.77 CYP2C19 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL4421767 0.77 CYP2C19 (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL4418704 0.75 NPC1 (0.39) PRKDCALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL4423877 0.75 WRN (0.45) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL4428642 0.75 GRM5 (0.47) PRKDCALDH1A1SMN1; SMN2TSHRHSD17B10

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