SCHEMBL382970

SCHEMBL382970

COc1ccc(CN(C2=NCCCN2)C2CCN(c3ccc(C(=O)NCCC(=O)ON(C(=O)OCc4ccccc4)C(C)(C)C)cc3F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
ITGA2B P08514 4/20 0.39
HTR2A P28223 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CCR5 P51681 1/20 0.35
KMT2A Q03164 3/20 0.34
CHRM4 P08173 2/20 0.34
ACHE P22303 1/20 0.34
F10 P00742 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
GCGR P47871 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL7660986 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382971 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BHTR2ACCR5
SCHEMBL7659624 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BCCR5F10
SCHEMBL382788 0.83 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR5F10
SCHEMBL7656296 0.83 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR5F10
SCHEMBL7660996 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL382399 0.79 ITGB3 (0.40) ITGB3ITGAVITGA2BKMT2ACHRM4
SCHEMBL382789 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2BKMT2AF10
SCHEMBL7659630 0.78 ITGB3 (0.48) ITGB3ITGAVITGA2BKMT2AF10
SCHEMBL383255 0.78 MAPT (0.40) ITGB3ITGAVITGA2BHTR2AKMT2A

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