SCHEMBL5331370

SCHEMBL5331370

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
MLYCD O95822 1/20 0.41
USP30 Q70CQ3 2/20 0.39
ACACB O00763 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM1 P11229 1/20 0.39
ERAP2 Q6P179 3/20 0.38
FPR2 P25090 2/20 0.38
LNPEP Q9UIQ6 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LMNA P02545 2/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
GCGR P47871 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL5331362 0.88 NAMPT (0.46) NAMPTMLYCDCHRM2CHRM3CHRM1
SCHEMBL5335986 0.88 CHRM2 (0.44) CHRM2CHRM3CHRM1LMNAALDH1A1
SCHEMBL5331368 0.83 FPR2 (0.46) NAMPTMLYCDUSP30CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL5335979 0.76 CHRM2 (0.51) CHRM2CHRM3CHRM1ERAP2LNPEP
SCHEMBL5335982 0.72 CHRM2 (0.52) CHRM2CHRM3CHRM1FPR2
SCHEMBL2197917 0.72 LTA4H (0.51)
SCHEMBL3174534 0.71 LTA4H (0.52) MLYCDLMNAALDH1A1
SCHEMBL7445685 0.70 PTPN1 (0.65) CHRM2CHRM1LMNAALDH1A1CYP1A2
SCHEMBL5302819 0.70 PTPN1 (0.50)
SCHEMBL11363918 0.69 OPRK1 (0.54) ERAP2LNPEPERAP1LMNAALDH1A1

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