SCHEMBL5335982

SCHEMBL5335982

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC(=O)C(F)(F)F)cc2)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 19/20 0.52
CHRM3 P20309 17/20 0.52
CHRM1 P11229 15/20 0.48
FPR2 P25090 1/20 0.47

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
SCHEMBL5331368 0.89 FPR2 (0.46) CHRM2CHRM3CHRM1FPR2
SCHEMBL5335986 0.83 CHRM2 (0.44) CHRM2CHRM3CHRM1
SCHEMBL2589812 0.73 PTPN1 (0.44)
SCHEMBL29686968 0.73 FPR2 (0.83) FPR2
SCHEMBL5331370 0.72 NAMPT (0.42) CHRM2CHRM3CHRM1FPR2
Trifluoroacetic Acid SCHEMBL5335979 0.71 CHRM2 (0.51) CHRM2CHRM3CHRM1
SCHEMBL29687123 0.69 FPR2 (0.81) FPR2
SCHEMBL4127725 0.69 RAB9A (0.60) CHRM2CHRM3
SCHEMBL29686903 0.69 FPR2 (0.59) FPR2
SCHEMBL10627281 0.69 CA12 (0.53) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007018508-A1 NOVEL M3 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-15 WO disclosed