SCHEMBL383052

SCHEMBL383052

COc1cc(C(=O)NC(CC(=O)O)NS(=O)(=O)c2ccccc2)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGAV P06756 8/20 0.56
ITGA2B P08514 8/20 0.56
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GAA P10253 3/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL382514 0.95 ITGB3 (0.52) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383243 0.95 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382782 0.89 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL381839 0.89 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL383239 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL6505536 0.87 ITGB3 (0.48) ITGB3ITGAVITGA2BKMT2ASMN1; SMN2
SCHEMBL382307 0.87 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2ASMN1; SMN2
SCHEMBL382432 0.86 ITGB3 (0.76) ITGB3ITGAVITGA2BGAAPKM
SCHEMBL382927 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL27551456 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3

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