SCHEMBL7549698

SCHEMBL7549698

N=C(N)Nc1ccc(CC(=O)N2CCN(C(=O)O)[C@]3(C2)C2CCC[C@H]3CCC2)cc1.O=C(O)N1CCN(C(=O)CCCCCc2c[nH]cn2)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.32
TPSD1 Q9BZJ3 2/20 0.32
TPSG1 Q9NRR2 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
MLNR O43193 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL7543760 0.91 TPSAB1 (0.37) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7579428 0.82 TPSAB1 (0.41) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7501029 0.75 TPSAB1 (0.63) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7501670 0.72 LMNA (0.40)
SCHEMBL7498048 0.71 TPSAB1 (0.45) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7419360 0.70 NAMPT (0.49) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7452526 0.69 TPSAB1 (0.63) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7550052 0.66 TPSAB1 (0.65) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7543840 0.65 TPSAB1 (0.53) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL7440324 0.64 ALDH1A1 (0.39) CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed