SCHEMBL30445513

SCHEMBL30445513

CC[C@H](C)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ FNTA P49354 8/20 0.43
▸ FNTB P49356 8/20 0.43
▸ KISS1R Q969F8 2/20 0.42
▸ APLNR P35414 1/20 0.42
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ PGGT1B P53609 3/20 0.41
▸ CRHR1 P34998 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40

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
SCHEMBL30445405 0.93 FNTA (0.44) FNTAFNTBMMEPGGT1B
SCHEMBL31633226 0.89 NPY1R (0.42) FNTAFNTBMMEPGGT1B
SCHEMBL30445380 0.88 BACE1 (0.47) CALCRBACE1FNTAFNTBAPLNR
SCHEMBL29590286 0.87 FNTA (0.43) BACE1FNTAFNTBAPLNRPGGT1B
SCHEMBL29558318 0.87 FNTA (0.47) CALCRBACE1FNTAFNTBAPLNR
SCHEMBL30629003 0.86 NPY1R (0.46) FNTAFNTBMMEPGGT1B
SCHEMBL30445774 0.85 CALCR (0.48) CALCRBACE1FNTAFNTBAPLNR
SCHEMBL30445017 0.85 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL30445727 0.85 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL30445417 0.85 FNTA (0.43) FNTAFNTBPGGT1B

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 2 patents. 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
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 disclosed
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