SCHEMBL8948643

SCHEMBL8948643

N=C(N)c1ccc(N2CC(CN3CCC(OCC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.50
ITGA2B P08514 14/20 0.50
PRSS1 P07477 9/20 0.50
PRSS2 P07478 9/20 0.50
PRSS3 P35030 9/20 0.50
F10 P00742 7/20 0.50
F2 P00734 1/20 0.49
SIGMAR1 Q99720 4/20 0.44
ALOX15 P16050 1/20 0.42

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
SCHEMBL8948685 0.91 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948609 0.90 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313193 0.88 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948664 0.86 SIGMAR1 (0.45) ITGB3ITGA2BF10SIGMAR1
SCHEMBL8312652 0.85 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313192 0.85 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948808 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948622 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6156619 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948767 0.83 GRM2 (0.48) ITGB3ITGA2BSIGMAR1

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