SCHEMBL382792

SCHEMBL382792

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.35
ITGAV P06756 6/20 0.35
ITGA2B P08514 6/20 0.35
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
USP30 Q70CQ3 1/20 0.33
ADRB2 P07550 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPY2R P49146 1/20 0.32
CCR5 P51681 1/20 0.32
F10 P00742 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL382332 0.94 ITGB3 (0.37) ITGB3ITGAVITGA2BADRA2AMCHR1
SCHEMBL6507434 0.94 DRD2 (0.34) ITGB3ITGAVITGA2BKDM4EDRD2
SCHEMBL382456 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BADRA2AMCHR1
SCHEMBL6501603 0.87 RORC (0.37) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6497814 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2BADRA2AMCHR1
SCHEMBL383095 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BADRA2AMCHR1
SCHEMBL383158 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BKDM4EDRD2
SCHEMBL383199 0.85 DRD2 (0.36) ADRA2AMCHR1KDM4EDRD2DRD3
SCHEMBL382188 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2ADRD2
SCHEMBL382204 0.84 ITGB3 (0.39) ITGB3ITGAVITGA2BADRA2AMCHR1

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 2 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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed