Sugi Predict

Sugi Predict / Compounds / SCHEMBL7420561

SCHEMBL7420561

SCHEMBL7420561

NC[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NC[C@H]5CC[C@H](CN)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 7/20 0.59
▸ F2 P00734 5/20 0.54
▸ PRSS2 P07478 3/20 0.51
▸ PRSS3 P35030 3/20 0.51
▸ PLG P00747 2/20 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
SCHEMBL7950452 0.86 TPSAB1 (0.75) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7962399 0.84 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7413129 0.81 TPSAB1 (0.68) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7481954 0.80 TPSAB1 (0.80) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7420226 0.80 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7483058 0.79 TPSAB1 (0.64) TPSAB1TPSD1TPSG1PLG
SCHEMBL7960583 0.78 TPSAB1 (0.64) TPSAB1TPSD1TPSG1PLG
SCHEMBL7962501 0.77 TPSAB1 (0.70) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7426001 0.77 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7424637 0.76 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 3 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