SCHEMBL7653078

SCHEMBL7653078

C[C@H]1CN(c2ccc(C(=O)NC[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2F)CCN1C1=NCCCN1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGA2B P08514 19/20 0.69
ITGAV P06756 15/20 0.69
ITGB1 P05556 1/20 0.43
ITGB5 P18084 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
SCHEMBL7653074 0.94 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7649734 0.90 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7657626 0.89 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7652768 0.89 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7651954 0.89 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7652759 0.86 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7651419 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7651403 0.83 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7462881 0.83 ITGB3 (0.86) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7468354 0.83 ITGB3 (0.86) ITGB3ITGA2BITGAVITGB1ITGB5

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