SCHEMBL7357201

SCHEMBL7357201

O=C(NC(CNC(=O)c1ccc2c(CCCNC3NCCN3)n[nH]c2c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.46
ITGAV P06756 17/20 0.46
ITGA2B P08514 6/20 0.43
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL7980556 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7980549 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7357208 0.85 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7982799 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7982298 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7346960 0.83 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7979117 0.83 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7969254 0.79 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL5253002 0.77 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7969121 0.75 ITGB3 (0.44) ITGB3ITGAVITGA2BEGLN2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO disclosed