SCHEMBL382205

SCHEMBL382205

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.42
▸ ITGAV P06756 9/20 0.42
▸ ITGA2B P08514 9/20 0.42
▸ DRD2 P14416 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ CASP8 Q14790 1/20 0.33

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
SCHEMBL382291 0.94 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2CASP3
SCHEMBL382429 0.94 ITGB3 (0.45) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL6499638 0.93 ITGB3 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382874 0.92 ITGB3 (0.38) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383239 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL6505536 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382334 0.85 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL382203 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL382782 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2BCASP3
SCHEMBL381839 0.85 ITGB3 (0.54) 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
Send feedback