SCHEMBL8948685

SCHEMBL8948685

N=C(N)c1ccc(N2CC(CN3CC(OCC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.48
ITGA2B P08514 15/20 0.48
PRSS1 P07477 9/20 0.48
PRSS2 P07478 9/20 0.48
PRSS3 P35030 9/20 0.48
F10 P00742 6/20 0.48
F2 P00734 1/20 0.47
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 4/20 0.41

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
SCHEMBL8948643 0.91 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948609 0.91 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948660 0.88 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948710 0.85 SIGMAR1 (0.43) ITGB3ITGA2BF10GRM2SIGMAR1
SCHEMBL8948845 0.82 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948808 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6156619 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948622 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313193 0.81 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315429 0.81 PRSS1 (0.49) 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