SCHEMBL16349754

SCHEMBL16349754

CCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGAV P06756 6/20 0.56
SLC40A1 Q9NP59 3/20 0.52
ITGB5 P18084 3/20 0.50
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
MC4R P32245 5/20 0.47
MC5R P33032 5/20 0.47
MC3R P41968 5/20 0.47
MC1R Q01726 5/20 0.47
ITGA2B P08514 4/20 0.46
GRB7 Q14451 1/20 0.45
CTSG P08311 1/20 0.43

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
SCHEMBL16349779 1.00 ITGB3 (0.56) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL14115074 0.95 ITGB3 (0.56) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL10052602 0.94 ITGB3 (0.55) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL22003475 0.94 ITGB3 (0.55) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL9909400 0.94 ITGB3 (0.55) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL16298655 0.94 ITGB3 (0.55) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL18505848 0.93 ITGB3 (0.57) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL16349777 0.92 ITGB3 (0.53) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL16349704 0.92 ITGB3 (0.53) ITGB3ITGAVSLC40A1ITGB5ITGB1
SCHEMBL12361592 0.91 MC4R (0.51) ITGB3ITGAVSLC40A1ITGB5ITGB1

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-7521419-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2009-04-21 US disclosed