SCHEMBL7149405

SCHEMBL7149405

CC(C)COC(=O)N(Cc1ccccc1)c1cncc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.36
LMNA P02545 1/20 0.36
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
SLC2A1 P11166 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL7142155 0.95 CHRM2 (0.35) TPSAB1LMNABCL9CTNNB1SLC2A1
SCHEMBL7024701 0.94 PDK1 (0.38) TPSAB1LMNASLC2A1
SCHEMBL4412034 0.93 LMNA (0.40) TPSAB1LMNASLC2A1
SCHEMBL7148789 0.92 CCR5 (0.36) TPSAB1BCL9CTNNB1SLC2A1
SCHEMBL7148752 0.92 CCR5 (0.36) LMNACHRM2CHRM1CHRM3
SCHEMBL7148965 0.88 RORC (0.33) TPSAB1LMNACHRM2CHRM1CHRM3
SCHEMBL7150781 0.88 HTR2A (0.37) LMNA
SCHEMBL4404630 0.87 LMNA (0.38) TPSAB1LMNASLC2A1CHRM2CHRM1
SCHEMBL4398557 0.86 LMNA (0.38) TPSAB1LMNABCL9CTNNB1SLC2A1
SCHEMBL4405326 0.86 PDK1 (0.41) TPSAB1LMNASLC2A1

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