SCHEMBL13870347

SCHEMBL13870347

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)CSCC(=O)N[C@@H](CCCCN)C(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.63
ITGAV P06756 5/20 0.63
MC4R P32245 6/20 0.53
MC5R P33032 6/20 0.53
MC3R P41968 6/20 0.53
MC1R Q01726 6/20 0.53
CTSG P08311 2/20 0.52
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB5 P18084 2/20 0.50
KLKB1 P03952 1/20 0.50
PLAU P00749 2/20 0.50
CACNA1B Q00975 1/20 0.48
GRB7 Q14451 1/20 0.47
TSLP Q969D9 2/20 0.47

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
SCHEMBL9908265 1.00 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13870357 1.00 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014846 0.96 ITGB3 (0.58) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14090937 0.96 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12353635 0.95 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11928877 0.95 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11933451 0.94 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL16298655 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL22003475 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9909400 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R

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