SCHEMBL14210733

SCHEMBL14210733

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)NC(C(N)=O)SCC(=O)N[C@@H](CCCCN)C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ ITGA5 P08648 1/20 0.56
▸ ITGB5 P18084 1/20 0.56
▸ CACNA1B Q00975 1/20 0.55
▸ MC4R P32245 10/20 0.55
▸ MC5R P33032 10/20 0.55
▸ MC3R P41968 10/20 0.55
▸ MC1R Q01726 10/20 0.55
▸ CTSG P08311 1/20 0.48
▸ PLAU P00749 1/20 0.47
▸ GRB7 Q14451 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ TSLP Q969D9 2/20 0.47
▸ ITGA2B P08514 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
SCHEMBL12353630 0.91 CACNA1B (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL15188725 0.90 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26200789 0.90 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL10033238 0.89 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL10033240 0.89 MC4R (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13532020 0.89 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12307274 0.88 MC4R (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26200764 0.88 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12307752 0.87 MC4R (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL19605481 0.87 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ITGB5

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-7368474-B2 Radiofluorination methods GE HEALTHCARE LIMITED (GB) 2008-05-06 — — US disclosed
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