SCHEMBL7145500

SCHEMBL7145500

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3c[c]cnc3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TPSAB1 Q15661 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL4399108 0.84 PARP1 (0.39) LMNATPSAB1
SCHEMBL4395889 0.83 BCL2 (0.39) LMNATP53TPSAB1ALOX12
SCHEMBL4405962 0.82 GRM5 (0.40) TPSAB1
SCHEMBL4412034 0.82 LMNA (0.40) SLC2A1LMNATPSAB1
SCHEMBL4399105 0.81 TPSAB1 (0.38) LMNATPSAB1
SCHEMBL4406792 0.81 JAK2 (0.41) TPSAB1
SCHEMBL4405326 0.80 PDK1 (0.41) SLC2A1LMNATPSAB1
SCHEMBL4396163 0.80 CHRM2 (0.39) LMNA
SCHEMBL4404630 0.80 LMNA (0.38) SLC2A1LMNATP53TPSAB1
SCHEMBL4397958 0.79 ACACB (0.42) LMNATPSAB1

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-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — WO disclosed
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