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SCHEMBL29714741

SCHEMBL29714741

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.58
▸ BACE1 P56817 9/20 0.56
▸ BACE2 Q9Y5Z0 2/20 0.56
▸ FOLH1 Q04609 1/20 0.56
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ IL1RN P18510 1/20 0.52
▸ ERAP2 Q6P179 1/20 0.52

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
SCHEMBL30797998 0.92 FOLH1 (0.65) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL32679640 0.91 FOLH1 (0.67) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL30350938 0.90 KISS1R (0.57) ACEBACE1NPY1RNPY2RNPY4R
SCHEMBL29351001 0.89 ACE (0.61) ACEFOLH1
SCHEMBL31393355 0.89 BACE1 (0.63) ACEBACE1BACE2OPRM1OPRD1
SCHEMBL29352682 0.88 ENPEP (0.60) ACEBACE1BACE2FOLH1NPY1R
SCHEMBL19750987 0.88 BACE1 (0.56) ACEBACE1BACE2
SCHEMBL29392023 0.88 MME (0.61) ACEBACE1
SCHEMBL32665667 0.86 MME (0.51) ACEBACE1FOLH1
SCHEMBL30052482 0.86 MME (0.64) —

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-4034243-A2 PEPTIDE FOR TREATING CANCER Saint Leo University (US) 2022-08-03 — — EP claimed
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