SCHEMBL30445730

SCHEMBL30445730

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.53
▸ BACE2 Q9Y5Z0 4/20 0.53
▸ TFPI P10646 1/20 0.52
▸ NPY4R P50391 4/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ OPRM1 P35372 3/20 0.50
▸ OPRD1 P41143 3/20 0.50
▸ CTSD P07339 1/20 0.49
▸ NPY5R Q15761 2/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48

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
SCHEMBL30445796 0.95 BACE1 (0.54) BACE1BACE2TFPINPY4RNPY1R
SCHEMBL30445792 0.91 TFPI (0.53) BACE1BACE2TFPINPY4RNPY1R
SCHEMBL30445846 0.91 BACE1 (0.60) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30445824 0.90 NTSR2 (0.56) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31319513 0.89 TFPI (0.59) TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30512683 0.88 TFPI (0.56) BACE1BACE2TFPINPY4RNPY1R
SCHEMBL30262130 0.87 TFPI (0.57) BACE1BACE2TFPIOPRM1OPRD1
SCHEMBL31472945 0.87 OPRD1 (0.52) BACE1BACE2TFPIOPRM1OPRD1
SCHEMBL29425313 0.86 NTSR2 (0.62) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31031460 0.86 NPY4R (0.54) BACE1BACE2NPY4RNPY1RNPY2R

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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