SCHEMBL6190850

SCHEMBL6190850

Cc1nc2cc3c(cc2[nH]c1=O)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
HPGD P15428 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 3/20 0.41
PDE10A Q9Y233 1/20 0.40
NPY5R Q15761 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TPH1 P17752 2/20 0.39
TPH2 Q8IWU9 2/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL3478941 0.80 CHRNB2 (0.45) HPGDALDH1A1KDM4EGAAGLA
SCHEMBL16671383 0.78 CSNK1E (0.44) NPY5RMEN1KMT2APOLB
SCHEMBL11370785 0.75 GRIN2D (0.56) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL11208689 0.74 ALDH1A1 (0.49) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL7786492 0.74 GRIN2D (0.48) HPGDALDH1A1KDM4EGAAGLA
SCHEMBL13850474 0.73 CA2 (0.51) HPGDALDH1A1KDM4EGAAGLA
SCHEMBL11544115 0.73 FABP6 (0.52) ALDH1A1PDE10ANPY5RMEN1KMT2A
SCHEMBL6306264 0.73 GRIN2D (0.58) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL6304503 0.73 KDM4E (0.44) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL712984 0.73 PDE10A (0.44) HPGDALDH1A1GAAHSD17B10PDE10A

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
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed