SCHEMBL382271

SCHEMBL382271

O=C(O)CC(NC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.65
ITGAV P06756 14/20 0.65
ITGA2B P08514 13/20 0.65
SLC6A9 P48067 5/20 0.38
SLC6A5 Q9Y345 5/20 0.38
ITGB1 P05556 1/20 0.35
ITGB5 P18084 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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) ITGB3ITGAVITGA2BSLC6A9ITGB1
SCHEMBL382633 0.92 ITGB3 (0.68) ITGB3ITGAVITGA2BSLC6A9ITGB1
SCHEMBL419977 0.92 ITGB3 (0.76) ITGB3ITGAVITGA2BSLC6A9ITGB1
SCHEMBL382754 0.92 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381993 0.90 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382861 0.88 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382270 0.87 ITGB3 (0.86) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6499246 0.86 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382444 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381996 0.84 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5

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