SCHEMBL381993

SCHEMBL381993

COc1ccc(S(=O)(=O)NC(CC(=O)O)NC(=O)c2ccc(N3CCC(NC4=NCCCN4)CC3)c(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.65
▸ ITGAV P06756 13/20 0.65
▸ ITGA2B P08514 12/20 0.65
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ WDR5 P61964 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGB5 P18084 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL382269 0.93 ITGB3 (0.75) ITGB3ITGAVITGA2BALDH1A1ITGB1
SCHEMBL419977 0.92 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382633 0.92 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382754 0.92 ITGB3 (0.75) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382271 0.90 ITGB3 (0.65) ITGB3ITGAVITGA2BLMNAMEN1
SCHEMBL382529 0.88 ITGB3 (0.69) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6500113 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382861 0.88 ITGB3 (0.68) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382432 0.87 ITGB3 (0.76) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL381992 0.87 ITGB3 (0.86) 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 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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