SCHEMBL7466289

SCHEMBL7466289

O=C(NC[C@H](O)C(=O)O)c1ccc(N2CCCCC2NC2=NCCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.52
▸ ITGAV P06756 18/20 0.52
▸ ITGA2B P08514 11/20 0.52
▸ GCGR P47871 2/20 0.35
▸ GIPR P48546 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
SCHEMBL7464513 0.87 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7461018 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7052828 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL6793124 0.84 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7461955 0.83 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7459020 0.82 ALDH1A1 (0.38) ITGB3ITGAVITGA2BGCGRGIPR
SCHEMBL7459950 0.82 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7474768 0.81 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL382414 0.81 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7049845 0.81 ITGB3 (0.74) ITGB3ITGAVITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 — — EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 — — EP disclosed
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