SCHEMBL7142155

SCHEMBL7142155

CC(C)COC(=O)N(Cc1ccc(Br)cc1)c1cncc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
LMNA P02545 1/20 0.34
CCR5 P51681 4/20 0.33
SLC2A1 P11166 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
TPSAB1 Q15661 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7149405 0.95 TPSAB1 (0.36) CHRM2CHRM1CHRM3LMNASLC2A1
SCHEMBL4404630 0.93 LMNA (0.38) CHRM2CHRM1CHRM3LMNASLC2A1
SCHEMBL7024701 0.91 PDK1 (0.38) LMNACCR5SLC2A1TPSAB1
SCHEMBL7148965 0.91 RORC (0.33) CHRM2CHRM1CHRM3LMNATPSAB1
SCHEMBL7148789 0.91 CCR5 (0.36) CCR5SLC2A1BCL9CTNNB1TPSAB1
SCHEMBL7148752 0.90 CCR5 (0.36) CHRM2CHRM1CHRM3LMNACCR5
SCHEMBL4412034 0.87 LMNA (0.40) LMNASLC2A1TPSAB1
SCHEMBL7150781 0.86 HTR2A (0.37) LMNA
SCHEMBL4402053 0.84 LMNA (0.42) CHRM2CHRM1CHRM3LMNATPSAB1
SCHEMBL4398557 0.84 LMNA (0.38) LMNASLC2A1BCL9CTNNB1TPSAB1

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