SCHEMBL7744368

SCHEMBL7744368

N=C(N)NCCC[C@@H]1NC(=O)C(CCCCNC(=O)CCC(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.51
▸ ITGAV P06756 8/20 0.51
▸ ITGA5 P08648 4/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ ITGB5 P18084 2/20 0.48
▸ SSTR1 P30872 1/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ SSTR4 P31391 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ SSTR5 P35346 1/20 0.45
▸ MC4R P32245 6/20 0.45
▸ MC5R P33032 6/20 0.45
▸ MC3R P41968 6/20 0.45
▸ MC1R Q01726 6/20 0.45
▸ TPSAB1 Q15661 3/20 0.44
▸ FURIN P09958 1/20 0.44

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
SCHEMBL8365736 1.00 ITGB3 (0.51) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL22738697 0.92 KEAP1 (0.51) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL23999261 0.92 KEAP1 (0.52) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL16994856 0.90 ITGB3 (0.52) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL15451355 0.90 ITGB3 (0.52) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL7738281 0.88 ITGB3 (0.52) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL14585795 0.87 ITGB3 (0.52) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL6810682 0.87 ITGB3 (0.46) ITGB3ITGAVITGA5ITGB1KEAP1
SCHEMBL7743670 0.86 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL22970321 0.86 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — US disclosed
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 — — US disclosed
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