SCHEMBL30938822

SCHEMBL30938822

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.50
▸ MME P08473 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ NPY4R P50391 9/20 0.48
▸ NPY1R P25929 7/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ NPY5R Q15761 5/20 0.48
▸ CDK4 P11802 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ KISS1R Q969F8 2/20 0.46
▸ CTSD P07339 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30810237 0.93 F2 (0.52) F2MMEACECPA1ACE2
SCHEMBL30541920 0.92 GNPAT (0.52) MMEACECPA1ACE2NPY4R
SCHEMBL29608079 0.91 KISS1R (0.57) NPY4RNPY1RNPY2RNPY5RCDK4
SCHEMBL30572369 0.89 NPY4R (0.52) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL31277463 0.89 ENPEP (0.46) —
SCHEMBL30303032 0.89 ENPEP (0.46) —
SCHEMBL31206418 0.88 GRB2 (0.51) F2MMEACECPA1ACE2
SCHEMBL31657686 0.87 F2 (0.48) F2KISS1R
SCHEMBL31318675 0.87 ENPEP (0.47) —
SCHEMBL7414767 0.86 F2 (0.49) F2NPY4RNPY1RNPY2RNPY5R

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-4389893-A1 HUMAN TRANSFERRIN RECEPTOR BINDING PEPTIDE-DRUG CONJUGATE Takeda Pharmaceutical Company Limited (JP) 2024-06-26 — — EP disclosed
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