SCHEMBL8949140

SCHEMBL8949140

CN(C(=O)c1cc(-c2ccc(C(=N)N)cc2)nn(C)c1=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
BRD4 O60885 1/20 0.34
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL8949134 1.00 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949284 0.90 F2 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949279 0.90 F2 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949003 0.89 F2 (0.37) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949158 0.87 EGLN1 (0.34) ADORA2AADORA1PDE10AHRH3
SCHEMBL8949277 0.82 CNR2 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949148 0.82 CNR2 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949064 0.82 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949055 0.82 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9571670 0.81 ITGB3 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
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