SCHEMBL7415218

SCHEMBL7415218

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(NC(=N)N)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 19/20 0.77
TPSD1 Q9BZJ3 19/20 0.77
TPSG1 Q9NRR2 19/20 0.77
PRSS1 P07477 7/20 0.77
F2 P00734 3/20 0.77
PRSS2 P07478 3/20 0.77
PRSS3 P35030 3/20 0.77
PLG P00747 1/20 0.62

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
Sulfuric Acid SCHEMBL8178487 0.96 TPSAB1 (0.71) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7962495 0.92 TPSAB1 (0.73) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7447705 0.92 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7428254 0.92 TPSAB1 (0.73) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7964955 0.92 TPSAB1 (0.73) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422418 0.92 TPSAB1 (0.73) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7421769 0.91 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7474931 0.91 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL8191103 0.91 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7950272 0.91 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US claimed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP claimed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO claimed
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 WO disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed