SCHEMBL8556971

SCHEMBL8556971

NC(CC(Sc1ncn(Cc2ccccc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
GRIK1 P39086 2/20 0.38
KLKB1 P03952 2/20 0.37
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
PPARG P37231 1/20 0.36
RIPK1 Q13546 3/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
KLK1 P06870 1/20 0.35

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
SCHEMBL9241489 0.78 HDAC1 (0.37) SLC1A1SLC1A3SLC1A2HDAC1HDAC6
SCHEMBL9241481 0.78 HDAC1 (0.37) SLC1A1SLC1A3SLC1A2HDAC1HDAC6
SCHEMBL8566367 0.76 SLC1A1 (0.41) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL8564937 0.73 GRM2 (0.39) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL8564931 0.73 GRM2 (0.39) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL8558691 0.70 GRM2 (0.49) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL11584045 0.67 KLKB1 (0.50) HDAC1HDAC6KLKB1RIPK1KLK1
SCHEMBL1414358 0.66 KLKB1 (0.49) PKMHDAC1HDAC6KLKB1RIPK1
SCHEMBL19658305 0.64 KLKB1 (0.50) HDAC1HDAC6KLKB1RIPK1KLK1
SCHEMBL2360983 0.64 CYP19A1 (0.47) HDAC1HDAC6KLKB1

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
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed