SCHEMBL8949309

SCHEMBL8949309

COc1nc(-c2ccc(C(=N)N)cc2)ncc1C(=O)N1CCC(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGA2B P08514 18/20 0.48
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL8949374 0.92 PRSS1 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8949142 0.91 PRSS1 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8949136 0.82 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8949271 0.81 HTR2B (0.41) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8949182 0.80 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8949282 0.79 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL8949359 0.77 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8863340 0.77 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL8949209 0.77 ITGB3 (0.56) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8410466 0.76 ITGB3 (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US claimed
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