SCHEMBL382971

SCHEMBL382971

COc1ccc(CN(C2=NCCCN2)C2CCN(c3ccc(C(=O)NC[C@@H](C(=O)O)N(C(=O)OCc4ccccc4)C(C)(C)C)cc3F)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGAV P06756 9/20 0.44
ITGA2B P08514 8/20 0.44
HTR2A P28223 2/20 0.35
CXCR3 P49682 1/20 0.35
CCR5 P51681 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 1/20 0.34
F10 P00742 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
JAK1 P23458 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL382789 0.91 ITGB3 (0.45) ITGB3ITGAVITGA2BCXCR3LMNA
SCHEMBL7660996 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL382970 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BHTR2ACCR5
SCHEMBL7659630 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL7656305 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL7660986 0.82 ITGB3 (0.40) ITGB3ITGAVITGA2BCXCR3CCR5
SCHEMBL382401 0.79 ITGB3 (0.46) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL383255 0.79 MAPT (0.40) ITGB3ITGAVITGA2BHTR2AMAPT
SCHEMBL7659624 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BCCR5LMNA
SCHEMBL382788 0.76 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR5MAPT

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 1 patent. 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 disclosed