SCHEMBL24253307

SCHEMBL24253307

CCC(=O)NCCCCC1NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.57
ITGAV P06756 7/20 0.57
ITGB1 P05556 1/20 0.57
ITGA5 P08648 1/20 0.57
MC4R P32245 9/20 0.55
MC5R P33032 9/20 0.55
MC3R P41968 9/20 0.55
MC1R Q01726 9/20 0.55
ITGB5 P18084 4/20 0.54
ITGA2B P08514 4/20 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
SCHEMBL19605457 1.00 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10138534 0.94 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15397366 0.94 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL20888358 0.93 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605458 0.93 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21766911 0.93 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL20822613 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL23823921 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24253294 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605483 0.92 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R

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
WO-2022032353-A1 RADIOPHARMACEUTICALS, USES THEREOF, AND METHODS FOR THE PRODUCTION THEREOF Clarity Pharmaceuticals Ltd (AU) 2022-02-17 WO disclosed