SCHEMBL4456136

SCHEMBL4456136

CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.59
▸ TFPI P10646 1/20 0.54
▸ CTSD P07339 1/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.52
▸ VIPR2 P41587 2/20 0.52
▸ KISS1R Q969F8 2/20 0.52
▸ VIPR1 P32241 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
SCHEMBL4456143 1.00 BACE1 (0.59) BACE1TFPICTSDBACE2VIPR2
SCHEMBL30477221 0.93 NPY4R (0.56) KISS1R
SCHEMBL29641576 0.93 NPY4R (0.56) KISS1R
SCHEMBL30272473 0.92 NPY4R (0.55) KISS1R
SCHEMBL31168167 0.89 ENPEP (0.48) BACE1CTSDBACE2VIPR2VIPR1
SCHEMBL31307250 0.89 VIPR2 (0.57) BACE1CTSDBACE2VIPR2VIPR1
SCHEMBL31405541 0.88 BACE1 (0.55) BACE1
SCHEMBL29694510 0.87 VIPR2 (0.61) BACE1TFPIVIPR2VIPR1
SCHEMBL30572369 0.87 NPY4R (0.52) TFPICTSDVIPR2VIPR1
SCHEMBL29810719 0.87 TFPI (0.62) BACE1TFPICTSDBACE2VIPR1

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-20090203594-A1 Anticancer peptide THOMPSON EDWARD BRADBRIDGE 2009-08-13 — — US disclosed
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