SCHEMBL7650186

SCHEMBL7650186

CC1CN(c2ncccn2)CCN1c1ccc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.47
ITGA2B P08514 7/20 0.47
ITGAV P06756 13/20 0.46
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
TGM2 P21980 2/20 0.42

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
SCHEMBL7655338 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7651260 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7656164 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7656171 0.83 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7649886 0.81 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7651363 0.80 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL382408 0.78 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7052904 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7650189 0.76 KDM4E (0.42)
SCHEMBL7653647 0.75 ITGB3 (0.61) 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