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Sugi Predict / Compounds / SCHEMBL7100379

SCHEMBL7100379

SCHEMBL7100379

N=C(N)NCCCCC(=O)NNC(=O)CC(CC(=O)O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.60
▸ ITGAV P06756 18/20 0.60
▸ ITGB5 P18084 3/20 0.58
▸ ITGB6 P18564 3/20 0.58
▸ ITGA2B P08514 6/20 0.49
▸ FABP4 P15090 1/20 0.37

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
SCHEMBL7102335 0.89 ITGB3 (0.61) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7100423 0.85 ITGB3 (0.61) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7268367 0.74 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7105700 0.72 ITGB3 (0.94) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7150516 0.72 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7103664 0.72 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL12259092 0.71 ITGB3 (0.68) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7103319 0.70 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL7349234 0.68 EPHX2 (0.41) ITGB3ITGA2B
SCHEMBL7347873 0.68 EPHX2 (0.41) ITGB3ITGA2B

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-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 — — US disclosed
EP-1194401-B1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-09-10 — — EP disclosed