SCHEMBL5039153

SCHEMBL5039153

CC(C)c1ccc(-c2ccc3c(n2)CCCC3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.42
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
SYK P43405 1/20 0.34
GPR174 Q9BXC1 1/20 0.34

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
SCHEMBL5039286 0.84 GRM5 (0.50) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL4421873 0.81 GRM5 (0.55) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL4431219 0.81 GRM5 (0.44) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL30558432 0.80 GRM5 (0.57) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL5039087 0.80 GRM5 (0.57) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL4432311 0.80 NPC1 (0.44) GRM5KDM4EHPGDALDH1A1LMNA
SCHEMBL15070177 0.75 GRM5 (0.48) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL5035590 0.73 GRM5 (0.51) GRM5KDM4EHPGDALDH1A1MAPT
SCHEMBL8246660 0.73 GRM5 (0.51) GRM5KDM4EHPGDMAOAMAOB
SCHEMBL4421928 0.73 KDM4E (0.47) GRM5KDM4EHPGDMAOBALDH1A1

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-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP claimed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed