SCHEMBL30880430

SCHEMBL30880430

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.43
▸ FURIN P09958 2/20 0.41
▸ REN P00797 4/20 0.41
▸ CALCRL Q16602 1/20 0.40
▸ NMT1 P30419 3/20 0.39
▸ NMT2 O60551 2/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL20527740 0.89 MEN1 (0.43) CPB2NMT1NMT2MEN1KMT2A
SCHEMBL30440151 0.86 DPP7 (0.44) CPB2RENCALCRLGHSRMEN1
SCHEMBL30658577 0.86 REN (0.46) CPB2RENGHSR
SCHEMBL11576618 0.84 CPB2 (0.41) CPB2RENCALCRLGHSR
SCHEMBL11576611 0.84 CPB2 (0.41) CPB2RENCALCRLGHSR
SCHEMBL30680482 0.84 MEN1 (0.46) CPB2MEN1KMT2A
SCHEMBL29381549 0.84 CPB2 (0.46) CPB2GHSRMEN1KMT2A
SCHEMBL8729043 0.84 CPB2 (0.46) CPB2GHSRMEN1KMT2A
SCHEMBL29802044 0.83 CPB2 (0.47) CPB2RENGHSRMEN1KMT2A
Bromide SCHEMBL8990122 0.83 CPB2 (0.45) CPB2RENGHSRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN claimed
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN disclosed
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