SCHEMBL8891945

SCHEMBL8891945

N=C(N)c1ccc(C(=O)NCc2ccc(N3CC(C(=O)OCc4ccccc4)OC3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.49
PRSS2 P07478 10/20 0.49
PRSS3 P35030 10/20 0.49
ITGB3 P05106 9/20 0.49
ITGA2B P08514 9/20 0.49
F10 P00742 6/20 0.48
TPSAB1 Q15661 2/20 0.47
F2 P00734 5/20 0.46
KLKB1 P03952 5/20 0.44
PLG P00747 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8893076 0.90 ITGB3 (0.45) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL7461194 0.86 ITGB3 (0.55) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL7461204 0.80 ITGB3 (0.51) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8894267 0.79 PRSS1 (0.51) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL7463121 0.77 ITGB3 (0.43) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL7461876 0.77 F10 (0.45) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8892670 0.76 NPC1 (0.40) ITGB3POLB
SCHEMBL7462105 0.75 F10 (0.51) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8892077 0.75 ITGB3 (0.43) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL7462601 0.74 PRSS1 (0.41) PRSS1PRSS2PRSS3ITGB3ITGA2B

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed