SCHEMBL7419625

SCHEMBL7419625

N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 17/20 1.00
TPSD1 Q9BZJ3 16/20 1.00
TPSG1 Q9NRR2 16/20 1.00
PRSS1 P07477 13/20 1.00
F2 P00734 11/20 1.00
PRSS2 P07478 10/20 1.00
PRSS3 P35030 10/20 1.00
PLG P00747 5/20 1.00
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ST14 Q9Y5Y6 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL7422249 0.89 TPSAB1 (0.81) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7599359 0.86 TPSAB1 (0.78) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7448443 0.83 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7551894 0.83 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7416220 0.78 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7962399 0.77 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7418203 0.76 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7481954 0.76 TPSAB1 (0.80) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL5359891 0.75 GRIN2B (0.61) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7428430 0.74 TPSAB1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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