SCHEMBL8949088

SCHEMBL8949088

CN(CCCCCC(=O)O)c1ccc(-c2ccc(C(=N)N)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.44
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44

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
SCHEMBL8949121 0.99 TMPRSS15 (0.45) TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949291 0.88 TMPRSS15 (0.46) TMPRSS15ITGB3ITGA2B
SCHEMBL8949052 0.72 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL397363 0.70 WDR5 (0.56)
SCHEMBL8949306 0.70 ITGB3 (0.46) TMPRSS15ITGB3ITGA2B
SCHEMBL8949315 0.70 ITGB3 (0.46) TMPRSS15ITGB3ITGA2B
SCHEMBL8886607 0.70 ITGB3 (0.57) TMPRSS15ITGB3ITGA2B
SCHEMBL8949364 0.69 F10 (0.41)
SCHEMBL8886144 0.66 ITGB3 (0.54) TMPRSS15ITGB3ITGA2B
SCHEMBL9253978 0.66 ITGB3 (0.37) TMPRSS15ITGB3ITGA2B

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