SCHEMBL6158397

SCHEMBL6158397

NC(=O)C(C[C@H](N)C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.59
GRM3 Q14832 2/20 0.59
EPHX1 P07099 1/20 0.58
SLC1A1 P43005 3/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A3 P43003 1/20 0.50
KYNU Q16719 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
GRIK1 P39086 4/20 0.45
CYP2C19 P33261 1/20 0.44
GRIK2 Q13002 3/20 0.44
BCAT2 O15382 1/20 0.43
KIF11 P52732 1/20 0.42

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
SCHEMBL5286288 0.89 GRM2 (0.62) GRM2GRM3EPHX1SLC1A1SLC1A2
SCHEMBL6448129 0.89 GRM2 (0.62) GRM2GRM3EPHX1SLC1A1SLC1A2
SCHEMBL8558695 0.84 GRM2 (0.57) GRM2GRM3EPHX1SLC1A1SLC1A2
SCHEMBL7494984 0.82 KMT2A (0.50) GRM2GRM3EPHX1PKMBCAT2
Hydrochloric Acid SCHEMBL7494979 0.80 EPHX1 (0.49) GRM2GRM3EPHX1PKMBCAT2
SCHEMBL5282418 0.80 GRM2 (0.79) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL3036448 0.79 EPHX1 (0.59) EPHX1PKMCYP2C19BCAT2
SCHEMBL22322995 0.79 EPHX1 (0.59) GRM2GRM3EPHX1PKMCYP2C19
SCHEMBL28640680 0.79 CYP2C19 (0.53) GRM2GRM3EPHX1ALPIPKM
SCHEMBL9065063 0.77 KYNU (0.70) GRM2GRM3SLC1A1SLC1A2SLC1A3

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
EP-0856513-B1 Thalidomide analogues from the piperidine-2,6-dione class GRUENENTHAL GMBH (DE) 2005-11-30 EP disclosed
EP-0856513-A2 Thalidomide analogues from the piperidine-2,6-dione class Grünenthal GmbH (DE) 1998-08-05 EP disclosed