SCHEMBL30958912

SCHEMBL30958912

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.59
▸ IL1RN P18510 2/20 0.59
▸ ACE P12821 2/20 0.55
▸ IL23R Q5VWK5 6/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ ECE1 P42892 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
SCHEMBL30465914 0.91 ACE (0.60) ERAP2ACEECE1
SCHEMBL30180812 0.91 IL1RN (0.58) ERAP2IL1RN
SCHEMBL29769338 0.90 IL23R (0.58) IL23R
SCHEMBL31240179 0.85 ERAP2 (0.62) ERAP2IL1RNACEERAP1NPY1R
SCHEMBL30567443 0.85 NPY1R (0.62) ERAP2IL1RNERAP1NPY1RNPY2R
SCHEMBL31720550 0.85 ACE (0.69) ACEECE1
SCHEMBL30834726 0.85 ACE (0.66) ERAP2IL1RNACEECE1
SCHEMBL30123487 0.84 OPRM1 (0.59) ERAP2IL1RNERAP1NPY1RNPY2R
SCHEMBL30180741 0.84 GHSR (0.61) ERAP2IL1RN
SCHEMBL30276244 0.83 OPRM1 (0.62) ERAP2ERAP1

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-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 — — EP disclosed
Send feedback