SCHEMBL7653697

SCHEMBL7653697

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.52
ITGA2B P08514 18/20 0.52
ITGAV P06756 7/20 0.48
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL7651973 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7651943 0.87 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7653716 0.85 SIRT6 (0.39) ITGB3ITGA2BSIRT6
SCHEMBL7658088 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7654405 0.83 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6496630 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7653684 0.81 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7652999 0.76 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7658557 0.76 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7655212 0.75 ITGB3 (0.65) ITGB3ITGA2BITGAV

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-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed