SCHEMBL8566367

SCHEMBL8566367

NC(CC(Sc1nncn1Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
ALDH1A1 P00352 1/20 0.39
PKM P14618 2/20 0.39
ALPI P09923 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
GRIK1 P39086 2/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
GRIA4 P48058 1/20 0.36
P2RX7 Q99572 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CYP1A2 P05177 1/20 0.34
F2 P00734 1/20 0.34
MAPK1 P28482 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
SCHEMBL9241091 0.78 ALDH1A1 (0.39) SLC1A1SLC1A3SLC1A2ALDH1A1PKM
SCHEMBL9241102 0.78 ALDH1A1 (0.39) SLC1A1SLC1A3SLC1A2ALDH1A1PKM
SCHEMBL8556971 0.76 SLC1A1 (0.41) SLC1A1SLC1A3SLC1A2PKMALPI
SCHEMBL11380644 0.74 ALDH1A1 (0.49) ALDH1A1PKMPOLBGAATSHR
SCHEMBL8558691 0.70 GRM2 (0.49) SLC1A1SLC1A3SLC1A2PKMALPI
SCHEMBL8566832 0.65 HSD17B10 (0.44) ALDH1A1SLC7A5POLBGAATSHR
SCHEMBL8566839 0.65 HSD17B10 (0.44) ALDH1A1SLC7A5POLBGAATSHR
SCHEMBL8564931 0.65 GRM2 (0.39) SLC1A1SLC1A3SLC1A2PKMALPI
SCHEMBL8564937 0.65 GRM2 (0.39) SLC1A1SLC1A3SLC1A2PKMALPI
SCHEMBL10397191 0.64 CYP11B1 (0.55) SLC1A1SLC1A3SLC1A2PKMALPI

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