SCHEMBL7467751

SCHEMBL7467751

NCC1CCN(C(=O)NCCCCNC(=O)O[C@H]2CCC[C@@H](OC(=O)NCCCCNC(=O)N3CCC(CN)CC3)CCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.62
TPSD1 Q9BZJ3 18/20 0.62
TPSG1 Q9NRR2 18/20 0.62
PRSS1 P07477 5/20 0.44
F2 P00734 3/20 0.41
PLG P00747 1/20 0.41
EPHX1 P07099 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL7426001 0.76 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7421921 0.75 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7424637 0.75 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7950452 0.74 TPSAB1 (0.75) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7420561 0.73 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL8243750 0.73 GAA (0.63) EPHX1
SCHEMBL14217877 0.73 EPHX1 (0.56) TPSAB1TPSD1TPSG1EPHX1
SCHEMBL10879403 0.72 EPHX1 (0.65) TPSAB1TPSD1TPSG1EPHX1
SCHEMBL1136837 0.72 TPSAB1 (0.50) TPSAB1TPSD1TPSG1
SCHEMBL22224323 0.71 EPHX1 (0.59) TPSAB1TPSD1TPSG1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US 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