SCHEMBL7652719

SCHEMBL7652719

O=C(N[C@@H](CNC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.53
ITGAV P06756 17/20 0.53
ITGA2B P08514 9/20 0.53
ITGB5 P18084 2/20 0.49
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46

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
SCHEMBL7656164 0.89 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7656171 0.89 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7655603 0.88 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5
SCHEMBL382505 0.86 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB5
SCHEMBL7651433 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7652723 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5
SCHEMBL7651260 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7658383 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL7651194 0.81 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL8506333 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1

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