SCHEMBL30093031

SCHEMBL30093031

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.59
▸ ACE P12821 2/20 0.54
▸ CTSC P53634 1/20 0.54
▸ ECE1 P42892 1/20 0.53
▸ ERAP2 Q6P179 1/20 0.51

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
SCHEMBL30093102 1.00 GHSR (0.59) GHSRACECTSCECE1ERAP2
SCHEMBL29496471 0.97 GHSR (0.65) GHSRACEECE1
SCHEMBL30093010 0.96 GHSR (0.63) GHSRACECTSCECE1ERAP2
SCHEMBL27601755 0.95 GHSR (0.64) GHSRACECTSCECE1ERAP2
SCHEMBL1711224 0.95 GHSR (0.64) GHSRACECTSCECE1ERAP2
SCHEMBL1711338 0.95 GHSR (0.64) GHSRACECTSCECE1ERAP2
SCHEMBL29695659 0.94 GHSR (0.58) GHSRACEECE1ERAP2
SCHEMBL30130563 0.93 GHSR (0.59) GHSRACEECE1
SCHEMBL30130571 0.93 GHSR (0.59) GHSRACEECE1
SCHEMBL29782548 0.93 ACE (0.62) GHSRACECTSCECE1ERAP2

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
CN-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 — — CN claimed
Send feedback