SCHEMBL7447248

SCHEMBL7447248

CC(C)(C)C(CC(=O)O)NC(=O)CN1CCN(c2ccc(C(=N)N)cc2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.46
ITGA2B P08514 18/20 0.46
ALOX15 P16050 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 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
Acetic Acid SCHEMBL7656489 0.88 ITGB3 (0.40) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7449631 0.84 ITGB3 (0.45) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7451002 0.80 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7455137 0.79 ITGB3 (0.43) ITGB3ITGA2BF2
Acetic Acid SCHEMBL7653168 0.79 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7449846 0.78 ITGB3 (0.52) ITGB3ITGA2BALOX15F2PRSS1
Acetic Acid SCHEMBL7656602 0.78 ITGB3 (0.40) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7660308 0.78 ITGB3 (0.40) ITGB3ITGA2BF2
SCHEMBL7660317 0.78 ITGB3 (0.40) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7656659 0.77 ITGB3 (0.51) ITGB3ITGA2BALOX15F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098888-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000004000-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed