SCHEMBL383431

SCHEMBL383431

O=C(O)CC(NC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1F)NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.63
▸ ITGAV P06756 19/20 0.63
▸ ITGA2B P08514 17/20 0.63
▸ ITGB5 P18084 2/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL383817 0.94 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382334 0.94 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382269 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6496741 0.88 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382591 0.87 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL382529 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382429 0.85 ITGB3 (0.45) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL382633 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL419977 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382754 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1

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 6 patents. 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 claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 — — US claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 — — EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 — — EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 — — US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 — — EP disclosed
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