SCHEMBL7319980

SCHEMBL7319980

CC(C)(C)OC(=O)C(CC(N)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.49
GRM3 Q14832 2/20 0.49
SLC7A5 Q01650 2/20 0.45
KIF11 P52732 2/20 0.42
SLC1A1 P43005 3/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A3 P43003 1/20 0.42
KYNU Q16719 1/20 0.41
GRIK1 P39086 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
LTA4H P09960 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
SCHEMBL9544124 1.00 GRM2 (0.49) GRM2GRM3SLC7A5KIF11SLC1A1
SCHEMBL17079753 0.88 LTA4H (0.42) GRM2GRM3SLC7A5KIF11LTA4H
SCHEMBL8893618 0.87 KIF11 (0.44) GRM2GRM3SLC7A5KIF11LTA4H
SCHEMBL6704315 0.87 AAK1 (0.39) PKMLTA4H
SCHEMBL28356651 0.87 AAK1 (0.39) PKMLTA4H
SCHEMBL28750863 0.85 AAK1 (0.39) SLC7A5PKMLTA4H
SCHEMBL15268712 0.81 SLC6A2 (0.42) PKM
SCHEMBL2293652 0.80 MEN1 (0.55)
SCHEMBL6448129 0.79 GRM2 (0.62) GRM2GRM3SLC7A5SLC1A1SLC1A2
SCHEMBL5286288 0.79 GRM2 (0.62) GRM2GRM3SLC7A5SLC1A1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119705-B1 OCTAPEPTIDE VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-09-06 EP disclosed
US-4684622-A CYCLIC OLIGOPEPTIDES, DISULFIDE LINKAGE SMITHKLINE BECKMAN CORPORATION (US) 1987-08-04 US disclosed
US-4599324-A VASODILATORS SMITHKLINE BECKMAN CORPORATION (US) 1986-07-08 US disclosed
EP-0182626-A2 V1-vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-05-28 EP disclosed
US-4587045-A Intermediates for preparing octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-05-06 US disclosed
US-4542124-A Octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1985-09-17 US disclosed
EP-0119705-A2 Octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1984-09-26 EP disclosed
US-4469679-A DIURETICS SMITHKLINE BECKMAN CORPORATION (US) 1984-09-04 US disclosed