SCHEMBL381767

SCHEMBL381767

CC(C)(C)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.51
▸ ITGA2B P08514 9/20 0.51
▸ ITGAV P06756 8/20 0.51
▸ DRD2 P14416 7/20 0.42
▸ DRD3 P35462 7/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ CASR P41180 3/20 0.40
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL6496378 0.90 ITGB3 (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383374 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL381829 0.85 ITGB3 (0.57) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6796554 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6800147 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL28747046 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382962 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383160 0.83 ITGAV (0.58) ITGB3ITGA2BITGAV
SCHEMBL382446 0.83 ITGAV (0.60) ITGB3ITGA2BITGAV
SCHEMBL382134 0.83 ITGB3 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 — — EP disclosed
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