SCHEMBL8364168

SCHEMBL8364168

CC(C)C1NC(=O)[C@@H](Cc2ccc(OCCCNC(=O)c3ccc(N/N=C/c4ccccc4S)nc3)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=O)NCc2ccccc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.42
▸ ITGAV P06756 18/20 0.42
▸ ITGB5 P18084 9/20 0.42
▸ ITGB1 P05556 5/20 0.40
▸ ITGA5 P08648 5/20 0.40
▸ ITGB6 P18564 5/20 0.40
▸ ITGB8 P26012 3/20 0.40
▸ ITGA2B P08514 3/20 0.39
▸ KDM4A O75164 1/20 0.38

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
SCHEMBL14585812 0.93 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7744465 0.93 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7738586 0.93 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14615652 0.93 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8365683 0.93 KDM4A (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8365687 0.93 AVPR2 (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8366260 0.93 AVPR2 (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8365685 0.92 AVPR2 (0.43) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8366358 0.90 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8366264 0.90 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB1ITGA5

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-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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