SCHEMBL7428430

SCHEMBL7428430

N=C(N)c1ccc(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 19/20 1.00
TPSD1 Q9BZJ3 19/20 1.00
TPSG1 Q9NRR2 19/20 1.00
PRSS1 P07477 11/20 1.00
F2 P00734 8/20 1.00
PLG P00747 3/20 1.00
PRSS2 P07478 7/20 0.68
PRSS3 P35030 7/20 0.68

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
SCHEMBL7426287 0.86 TPSAB1 (0.75) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7418203 0.84 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL4420271 0.81 F2 (0.67) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7416220 0.81 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7420126 0.79 F2 (0.65) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7441982 0.78 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7420536 0.76 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7415237 0.76 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7501029 0.76 TPSAB1 (0.63) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7446613 0.74 TPSAB1 (0.94) 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 3 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-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed