SCHEMBL7658303

SCHEMBL7658303

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGA2B P08514 5/20 0.49
ITGAV P06756 5/20 0.49
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.39
SCN9A Q15858 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL7652072 0.86 ITGB3 (0.42) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7652085 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7654471 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAVMEN1ALDH1A1
SCHEMBL383017 0.83 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7658323 0.82 JAK2 (0.41) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7658383 0.81 ITGB3 (0.49) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7651194 0.81 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7651433 0.80 ITGB3 (0.48) ITGB3ITGA2BITGAVJAK2JAK1
SCHEMBL7651633 0.79 NPC1 (0.55) ITGB3ITGA2BMEN1ALDH1A1KMT2A
SCHEMBL7655259 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAVJAK2JAK1

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