SCHEMBL30019030

SCHEMBL30019030

NCCC[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.48
▸ LNPEP Q9UIQ6 3/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ GNPAT O15228 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ GPR132 Q9UNW8 2/20 0.42
▸ KISS1R Q969F8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ ECE1 P42892 1/20 0.41

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
SCHEMBL29666227 0.97 ERAP2 (0.52) ERAP2LNPEPFOLH1GNPATCYP3A4
SCHEMBL31167351 0.94 ERAP2 (0.51) ERAP2LNPEPFOLH1GNPATCYP3A4
SCHEMBL31754274 0.91 FOLH1 (0.48) FOLH1CYP3A4CYP2A6GPR132
SCHEMBL27041689 0.90 FOLH1 (0.48) FOLH1GNPATGPR132KISS1RECE1
SCHEMBL27041687 0.90 FOLH1 (0.48) FOLH1GNPATGPR132KISS1RECE1
SCHEMBL4198783 0.88 GPR132 (0.52) FOLH1GPR132KDM4EECE1
SCHEMBL31206620 0.87 FNTA (0.47) ERAP2LNPEPSLC15A2
SCHEMBL29395172 0.87 ERAP2 (0.45) ERAP2LNPEPFOLH1GNPATSLC15A2
SCHEMBL30641545 0.87 FNTA (0.47) ERAP2LNPEPSLC15A2
SCHEMBL29375944 0.87 NAALAD2 (0.51) FOLH1GPR132

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
US-11479587-B2 Cationic intrinsically disordered antimicrobial peptides CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2022-10-25 — — US disclosed
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