SCHEMBL7738529

SCHEMBL7738529

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.43
▸ ITGB3 P05106 11/20 0.40
▸ ITGAV P06756 9/20 0.40
▸ ITGB1 P05556 5/20 0.40
▸ ITGA5 P08648 5/20 0.40
▸ ITGB5 P18084 2/20 0.40
▸ ITGA2B P08514 2/20 0.39
▸ ITGB6 P18564 2/20 0.39
▸ ITGB8 P26012 2/20 0.39

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
SCHEMBL14585823 1.00 AVPR2 (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL7743942 1.00 AVPR2 (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL14615561 1.00 AVPR2 (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL14585827 0.99 AVPR2 (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL7746285 0.99 AVPR2 (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL14585826 0.94 ITGB3 (0.40) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL7738553 0.94 ITGB3 (0.40) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL7746128 0.94 KDM4A (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL7738154 0.94 KDM4A (0.43) AVPR2ITGB3ITGAVITGB1ITGA5
SCHEMBL14585800 0.94 KDM4A (0.43) AVPR2ITGB3ITGAVITGB1ITGA5

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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