SCHEMBL30912314

SCHEMBL30912314

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.58
▸ BACE1 P56817 4/20 0.58
▸ BACE2 Q9Y5Z0 4/20 0.58
▸ NPY4R P50391 9/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ NPY5R Q15761 4/20 0.55
▸ ACE P12821 1/20 0.53
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ CTSD P07339 2/20 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
SCHEMBL23331572 0.92 CTSD (0.55) KISS1RBACE1BACE2CTSD
SCHEMBL23331574 0.92 CTSD (0.55) KISS1RBACE1BACE2CTSD
SCHEMBL29362467 0.89 NTSR2 (0.63) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL23331377 0.88 KISS1R (0.57) KISS1RBACE1BACE2CTSD
Kklfkkilkvl-Nh2 SCHEMBL30396617 0.87 NTSR2 (0.55) KISS1RBACE1BACE2NPY4RNPY1R
SCHEMBL29447812 0.85 NTSR2 (0.69) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29770017 0.85 NTSR2 (0.68) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL23331376 0.85 CTSD (0.54) KISS1RBACE1BACE2CTSD
SCHEMBL23331375 0.85 CTSD (0.54) KISS1RBACE1BACE2CTSD
SCHEMBL8894994 0.84 KISS1R (0.59) KISS1RBACE1BACE2

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-115010788-B N-terminal fatty acid modified low-toxicity broad-spectrum antibacterial peptide analogue with antibacterial film activity and application thereof 倪京满 2024-06-28 — — CN disclosed
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