SCHEMBL382569

SCHEMBL382569

COc1cc(C(=O)NC(CC(=O)O)NC(=O)OCc2ccccc2)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGAV P06756 6/20 0.43
ITGA2B P08514 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
USP30 Q70CQ3 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
SMPD1 P17405 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
CASP3 P42574 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
KDM1B Q8NB78 1/20 0.36
RCOR1 Q9UKL0 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
SCHEMBL384053 0.89 ITGB3 (0.41) ITGB3ITGAVITGA2BCASP1
SCHEMBL382567 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL382410 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7467089 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383052 0.84 ITGB3 (0.56) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382101 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382613 0.83 ITGB3 (0.42) ITGB3ITGAVCASP3CASP1
SCHEMBL383136 0.82 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382514 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383243 0.81 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