SCHEMBL8948730

SCHEMBL8948730

N=C(N)c1ccc(N2CC(CN3CCCC(CC(=O)OCc4ccccc4)C3)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGA2B P08514 10/20 0.48
PRSS1 P07477 10/20 0.48
PRSS2 P07478 10/20 0.48
PRSS3 P35030 10/20 0.48
F10 P00742 8/20 0.48
F2 P00734 1/20 0.48
SIGMAR1 Q99720 5/20 0.40
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
GRM2 Q14416 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL8948592 0.86 GRM2 (0.42) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948672 0.82 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948668 0.82 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948763 0.82 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8312993 0.81 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313362 0.81 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316057 0.81 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315424 0.79 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315429 0.79 PRSS1 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8312934 0.77 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed