SCHEMBL8949052

SCHEMBL8949052

CN(c1ccc(-c2ccc(C(=N)N)cc2)nn1)C1CCC(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.48
ITGA2B P08514 17/20 0.48
DGAT1 O75907 3/20 0.40

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
Hydrochloric Acid SCHEMBL8949107 0.88 ITGB3 (0.41) ITGB3ITGA2BDGAT1
SCHEMBL8949315 0.86 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL8949306 0.86 ITGB3 (0.46) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949354 0.80 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL9571676 0.77 ITGB3 (0.46) ITGB3ITGA2BDGAT1
SCHEMBL8949403 0.76 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8949121 0.73 TMPRSS15 (0.45) ITGB3ITGA2B
SCHEMBL8949088 0.72 TMPRSS15 (0.44) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949349 0.69 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL27758069 0.69 DGAT1 (0.50) DGAT1

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