SCHEMBL7652767

SCHEMBL7652767

COc1ccc(CN2CCN=C2NC2CCN(c3ccc(C(=O)NC(CC(=O)O)NS(=O)(=O)c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
ITGA2B P08514 4/20 0.44
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 2/20 0.38
F10 P00742 1/20 0.37
HTR7 P34969 1/20 0.37
MAPK1 P28482 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL7652751 0.86 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL382658 0.83 MAPT (0.40) ITGB3ITGAVITGA2BLMNAUSP2
SCHEMBL7652758 0.82 GFER (0.43) ITGB3ITGAVITGA2BLMNAUSP2
SCHEMBL382660 0.81 MAPT (0.42) ITGB3ITGAVITGA2BLMNAUSP2
SCHEMBL382659 0.78 ITGAV (0.51) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL27551456 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL382764 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL382657 0.77 ALDH1A1 (0.42) ITGB3ITGAVITGA2BLMNAKMT2A
SCHEMBL382937 0.77 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL383174 0.76 ITGB3 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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