SCHEMBL382653

SCHEMBL382653

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(NC3=NCCN3)CC2)c(F)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.58
ITGAV P06756 10/20 0.58
ITGA2B P08514 10/20 0.58
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
VDR P11473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
WDR5 P61964 4/20 0.35
SLC6A9 P48067 1/20 0.34

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
SCHEMBL382456 0.89 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL7662919 0.86 ITGB3 (0.65) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL383437 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL383582 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL6497814 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BVDR
SCHEMBL383095 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL382188 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL382656 0.79 ITGB3 (0.63) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL383158 0.78 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNAALDH1A1
SCHEMBL27360304 0.77 ITGB3 (0.66) 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 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