SCHEMBL8282928

SCHEMBL8282928

N#Cc1cc2c(nc1Nc1ccccc1)CCCC2=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GRM5 P41594 7/20 0.50
MAOB P27338 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
G6PD P11413 1/20 0.40

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
SCHEMBL5046079 0.80 ALDH1A1 (0.60) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4433042 0.80 ALDH1A1 (0.52) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4421502 0.80 POLB (0.57) ALDH1A1GRM5MAOBMAPTMAOA
SCHEMBL4423396 0.78 ALDH1A1 (0.50) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL13673758 0.78 KDM4E (0.60) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4421919 0.76 ALDH1A1 (0.58) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4423371 0.76 ALDH1A1 (0.51) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4429412 0.75 GRM5 (0.59) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4426644 0.73 SMN1; SMN2 (0.58) TSHRKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL4424040 0.72 ALDH1A1 (1.00) TSHRKDM4EALDH1A1NPSR1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed