SCHEMBL11199554

SCHEMBL11199554

N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@](N)(C(=O)O)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
GRIA1 P42261 1/20 0.43
MMP2 P08253 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRND Q07001 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
SCHEMBL28022070 0.85 SLC7A5 (0.45) SLC7A5
Hydrochloric Acid SCHEMBL6299983 0.82 SLC7A5 (0.57) SLC7A5GRIA1MMP2
SCHEMBL21658587 0.78 GRIA1 (0.51) SLC7A5GRIA1MMP2
SCHEMBL30631763 0.78 SLC7A5 (0.53) SLC7A5
SCHEMBL7877012 0.77 SLC7A5 (0.55) SLC7A5MMP2
SCHEMBL24001222 0.77 GRIA1 (0.62) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL14371370 0.77 GRIA1 (0.62) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL9280046 0.77 SLC7A5 (0.51) SLC7A5GRIA1MMP2
SCHEMBL6047676 0.77 ALPI (0.44) SLC7A5MMP2
SCHEMBL1711681 0.77 ALPI (0.44) SLC7A5MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087751-A2 Water-soluble peptides from very poorly soluble amino acids PFRIMMER KABI GMBH & CO. KG (DE) 1983-09-07 EP disclosed