SCHEMBL7658496

SCHEMBL7658496

CCCCCCN(C(CNC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.50
ITGA2B P08514 11/20 0.50
ITGAV P06756 11/20 0.50
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TLR2 O60603 2/20 0.37
HDAC3 O15379 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7652514 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVHDAC3HDAC8
SCHEMBL7655271 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7651194 0.78 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7658501 0.78 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7651416 0.77 ITGB3 (0.38) ITGB3ITGA2BITGAVTLR2HDAC3
SCHEMBL7655259 0.77 ITGB3 (0.59) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7658132 0.77 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7656746 0.75 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7658303 0.74 ITGB3 (0.49) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7653737 0.71 ITGB3 (0.52) 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