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SCHEMBL7420671

SCHEMBL7420671

N=C(N)N1CCC(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCC5CCN(C(=N)N)CC5)CC4)CCC3)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 18/20 1.00
▸ TPSD1 Q9BZJ3 18/20 1.00
▸ TPSG1 Q9NRR2 18/20 1.00
▸ PRSS1 P07477 9/20 0.56
▸ F2 P00734 7/20 0.56
▸ PLG P00747 2/20 0.56
▸ PRSS2 P07478 6/20 0.52
▸ PRSS3 P35030 6/20 0.52
▸ HSD11B1 P28845 1/20 0.45

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
SCHEMBL7958531 0.87 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7425638 0.82 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7447227 0.80 TPSAB1 (0.70) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7962399 0.79 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7447251 0.74 TPSAB1 (0.73) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7446733 0.73 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12927826 0.73 TPSAB1 (0.59) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422621 0.73 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7474183 0.72 TPSAB1 (0.56) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL6222860 0.72 TPSAB1 (0.55) TPSAB1TPSD1TPSG1F2

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