SCHEMBL8949045

SCHEMBL8949045

N=C(N)c1ccc(-c2cc(C(=O)N3CCC(CC(=O)O)CC3)c(=O)n(CC(=O)N3CCOCC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.45
ITGA2B P08514 18/20 0.45
F2 P00734 1/20 0.42
TSHR P16473 1/20 0.39

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
SCHEMBL8949166 0.91 F2 (0.38) ITGB3ITGA2BF2
SCHEMBL8949199 0.79 ITGB3 (0.43) ITGB3ITGA2BF2TSHR
Hydrochloric Acid SCHEMBL8949111 0.79 ITGB3 (0.43) ITGB3ITGA2BF2TSHR
SCHEMBL9571672 0.78 ITGB3 (0.38) ITGB3ITGA2BF2TSHR
SCHEMBL9571670 0.78 ITGB3 (0.38) ITGB3ITGA2BF2TSHR
SCHEMBL8949249 0.76 CNR2 (0.41) F2
SCHEMBL8949242 0.75 POLB (0.39) ITGB3ITGA2BF2TSHR
SCHEMBL8949244 0.75 POLB (0.39) ITGB3ITGA2BF2TSHR
SCHEMBL8948967 0.74 POLB (0.47) ITGB3ITGA2B
SCHEMBL8949281 0.74 CNR2 (0.40) ITGB3ITGA2BF2

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