SCHEMBL5039286

SCHEMBL5039286

O=C1CCCc2nc(-c3ccc(Cl)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
HTT P42858 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
APAF1 O14727 1/20 0.40
SRC P12931 1/20 0.40
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL4431219 0.84 GRM5 (0.44) GRM5MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL4421873 0.84 GRM5 (0.55) GRM5MAOAMAOBHTTMAPT
SCHEMBL30558432 0.84 GRM5 (0.57) GRM5MAOAMAOBHTTMAPT
SCHEMBL5039087 0.84 GRM5 (0.57) GRM5MAOAMAOBHTTMAPT
SCHEMBL5039153 0.84 GRM5 (0.42) GRM5MAOAMAOBHTTMAPT
SCHEMBL8246660 0.82 GRM5 (0.51) GRM5MAOAMAOBMAPTSMN1; SMN2
SCHEMBL4432311 0.81 NPC1 (0.44) GRM5HTTMAPTSMN1; SMN2KMT2A
SCHEMBL29561825 0.76 GRM5 (0.51) GRM5MAOAMAOBHTTMAPT
SCHEMBL867309 0.76 GRM5 (0.51) GRM5MAOAMAOBHTTMAPT
SCHEMBL8283777 0.76 CYP1A2 (0.50) GRM5MAOAMAOBALDH1A1NPC1

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 3 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
US-4117135-A NOVEL 5,6,7,8-TETRAHYDRO-5-QUINOLINES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING, A.G. 1978-09-26 US disclosed