SCHEMBL8949438

SCHEMBL8949438

N=C(N)c1ccc(-c2ncc(C(=O)N3CCC(CC(=O)O)(CC(=O)O)CC3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.52
ITGA2B P08514 19/20 0.52
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL8949051 0.90 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8410502 0.88 ITGB3 (0.62) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949004 0.86 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1
SCHEMBL8949136 0.80 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8410559 0.77 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL8949182 0.75 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8409046 0.74 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1
SCHEMBL8410221 0.73 HPGD (0.46) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949289 0.71 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL9189037 0.68 ITGB3 (0.54) ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed