SCHEMBL7449846

SCHEMBL7449846

N=C(N)c1ccc(N2CCN(CC(=O)NCCC(=O)O)C(=O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.52
ITGA2B P08514 18/20 0.52
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TMPRSS6 Q8IU80 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
ALOX15 P16050 1/20 0.43

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 SCHEMBL7656659 0.99 ITGB3 (0.51) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7455073 0.88 ITGB3 (0.41) ITGB3ITGA2B
Acetic Acid SCHEMBL7698285 0.86 ITGB3 (0.54) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9175702 0.83 ITGB3 (0.60) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7405707 0.83 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7451025 0.82 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7449631 0.79 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7397288 0.79 ITGB3 (0.53) ITGB3ITGA2BF2PRSS1
SCHEMBL7447248 0.78 ITGB3 (0.46) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL7662941 0.78 ITGB3 (0.52) 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 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