SCHEMBL24016815

SCHEMBL24016815

N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)C(CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCNCCNC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.51
▸ ITGA2B P08514 4/20 0.51
▸ ITGAV P06756 7/20 0.51
▸ ITGB5 P18084 4/20 0.51
▸ MC4R P32245 9/20 0.51
▸ MC5R P33032 9/20 0.51
▸ MC3R P41968 9/20 0.51
▸ MC1R Q01726 9/20 0.51
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50

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
SCHEMBL23776332 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL24016803 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL24632223 0.92 MC4R (0.46) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL19605458 0.92 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL20888358 0.92 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL21766911 0.92 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL22349748 0.91 CTSD (0.54) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL23776220 0.91 CTSD (0.54) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL23018575 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5MC4R
SCHEMBL12496488 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5MC4R

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-3628677-B1 METHOD FOR PREPARING A CYCLOPEPTIDE UNIV NAT TSING HUA (TW) 2021-11-10 — — EP disclosed
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