SCHEMBL30445539

SCHEMBL30445539

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.54
▸ FNTA P49354 5/20 0.52
▸ FNTB P49356 5/20 0.52
▸ ACE P12821 2/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 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
SCHEMBL30331349 0.91 OPRD1 (0.56) MMEFNTAFNTB
SCHEMBL30445509 0.89 MME (0.54) MMEACECPA1ACE2NPY1R
SCHEMBL30445408 0.89 BACE1 (0.56) MMEFNTAFNTBNPY1RNPY2R
SCHEMBL30473752 0.88 NPY4R (0.62) MMEACECPA1ACE2NPY1R
SCHEMBL31556404 0.88 MME (0.54) MMEFNTAFNTBACECPA1
SCHEMBL30445426 0.88 FNTA (0.56) MMEFNTAFNTBNPY1RNPY2R
SCHEMBL31230588 0.88 OPRM1 (0.58) MMEACECPA1ACE2NPY1R
SCHEMBL29596043 0.87 BACE1 (0.52) NPY1RNPY2RNPY4R
SCHEMBL30957419 0.87 MME (0.55) MMEACECPA1ACE2NPY1R
SCHEMBL31025643 0.85 MME (0.64) MMEACECPA1ACE2NPY1R

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-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP claimed
Send feedback