SCHEMBL5331368

SCHEMBL5331368

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.46
CHRM2 P08172 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM1 P11229 1/20 0.45
NAMPT P43490 1/20 0.43
MLYCD O95822 1/20 0.42
USP30 Q70CQ3 3/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
FOLH1 Q04609 1/20 0.39
F7 P08709 1/20 0.39
TMPRSS15 P98073 1/20 0.38

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
SCHEMBL5335982 0.89 CHRM2 (0.52) FPR2CHRM2CHRM3CHRM1
SCHEMBL5331370 0.83 NAMPT (0.42) FPR2CHRM2CHRM3CHRM1NAMPT
SCHEMBL2589812 0.75 PTPN1 (0.44) PTPN2PTPN1TMPRSS15
SCHEMBL29686968 0.73 FPR2 (0.83) FPR2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL5331362 0.71 NAMPT (0.46) CHRM2CHRM3CHRM1NAMPTMLYCD
SCHEMBL5335986 0.71 CHRM2 (0.44) CHRM2CHRM3CHRM1
SCHEMBL29687123 0.71 FPR2 (0.81) FPR2CA12CA1CA9
SCHEMBL10627281 0.70 CA12 (0.53) FPR2CA12CA1CA9
SCHEMBL5302819 0.68 PTPN1 (0.50) PTPN1
SCHEMBL29686903 0.68 FPR2 (0.59) FPR2CA12CA1CA9F7

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