SCHEMBL30445690

SCHEMBL30445690

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.60
ACE P12821 6/20 0.60
CPA1 P15085 1/20 0.60
ACE2 Q9BYF1 1/20 0.60
FOLH1 Q04609 1/20 0.58
OPRD1 P41143 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 1/20 0.53

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
SCHEMBL2549533 1.00 MME (0.60) MMEACECPA1ACE2FOLH1
SCHEMBL2493049 0.94 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL4073351 0.94 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL2545591 0.94 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL31287928 0.94 ACE (0.65) MMEACECPA1ACE2FOLH1
Water SCHEMBL20489335 0.93 ACE (0.64) MMEACECPA1ACE2FOLH1
Water SCHEMBL20495306 0.93 ACE (0.64) MMEACECPA1ACE2FOLH1
Water SCHEMBL20489337 0.93 ACE (0.64) MMEACECPA1ACE2FOLH1
Water SCHEMBL29167823 0.93 ACE (0.64) MMEACECPA1ACE2FOLH1
Water SCHEMBL29167817 0.93 ACE (0.64) MMEACECPA1ACE2FOLH1

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