SCHEMBL29973374

SCHEMBL29973374

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.63
▸ ERAP2 Q6P179 7/20 0.59
▸ IL1RN P18510 6/20 0.55
▸ ERAP1 Q9NZ08 4/20 0.55
▸ KISS1R Q969F8 2/20 0.54
▸ ECE1 P42892 2/20 0.53

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
SCHEMBL30974495 0.90 GHSR (0.67) GHSRERAP2ECE1
SCHEMBL29754403 0.88 GHSR (0.57) GHSRERAP2
SCHEMBL31315962 0.88 GHSR (0.61) GHSRKISS1R
SCHEMBL29365946 0.88 GHSR (0.64) GHSR
SCHEMBL29390382 0.88 GHSR (0.64) GHSR
SCHEMBL31494763 0.88 ERAP2 (0.59) GHSRERAP2IL1RNERAP1KISS1R
SCHEMBL31632761 0.87 ERAP2 (0.61) GHSRERAP2IL1RNERAP1KISS1R
SCHEMBL31256538 0.87 ERAP2 (0.56) GHSRERAP2IL1RNERAP1KISS1R
SCHEMBL2108899 0.87 GHSR (0.74) GHSRERAP2ECE1
SCHEMBL1712034 0.87 GHSR (0.74) GHSRERAP2ECE1

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-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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