SCHEMBL8614449

SCHEMBL8614449

CCCCCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.53
CHRND Q07001 5/20 0.52
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52

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
SCHEMBL8618601 0.93 F2 (0.58) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8618613 0.93 F2 (0.58) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8614357 0.90 F2 (0.50) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8614371 0.90 F2 (0.50) GRIA1CHRNDCHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8619004 0.89 F2 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8618989 0.89 F2 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8616206 0.86 LNPEP (0.55)
SCHEMBL8616218 0.86 LNPEP (0.55)
SCHEMBL29360860 0.85 GRIA1 (0.66) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8615323 0.84 LNPEP (0.51)

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-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed