SCHEMBL8618601

SCHEMBL8618601

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)NCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.58
CHRND Q07001 5/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
GRIA1 P42261 7/20 0.49
ANPEP P15144 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49

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
SCHEMBL8618613 1.00 F2 (0.58) F2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8614449 0.93 GRIA1 (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL8614357 0.92 F2 (0.50) F2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8614371 0.92 F2 (0.50) F2CHRNDCHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8618989 0.91 F2 (0.49) F2CHRNDCHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8619004 0.91 F2 (0.49) F2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19236526 0.88 F2 (0.55) F2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL8616218 0.86 LNPEP (0.55) F2ANPEPLNPEP
SCHEMBL8616206 0.86 LNPEP (0.55) F2ANPEPLNPEP
SCHEMBL17274195 0.84 ACE (0.58) ANPEPLNPEP

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