SCHEMBL383239

SCHEMBL383239

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGAV P06756 8/20 0.55
ITGA2B P08514 8/20 0.55
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
NPY2R P49146 1/20 0.37
MTTP P55157 1/20 0.37
F10 P00742 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL382037 0.95 ITGB3 (0.55) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL382777 0.95 ITGB3 (0.55) ITGB3ITGAVITGA2BPKMNPY2R
SCHEMBL6505536 0.94 ITGB3 (0.48) ITGB3ITGAVITGA2BF10SMN1; SMN2
SCHEMBL382307 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382782 0.91 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1F10
SCHEMBL381839 0.91 ITGB3 (0.54) ITGB3ITGAVITGA2BNPY2RF10
SCHEMBL383052 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL382205 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382861 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL7655229 0.87 ITGB3 (0.46) ITGB3ITGAVITGA2BPKMALDH1A1

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 8 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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