SCHEMBL4025520

SCHEMBL4025520

Cn1cc(OC(=O)Nc2ccccc2-c2cccc(Cl)c2)c(C(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.49
CHRM1 P11229 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL4031806 0.92 CHRM3 (0.41) CHRM3CHRM1MEN1KMT2ACHRM2
SCHEMBL4027584 0.89 CHRM3 (0.50) CHRM3CHRM1CHRM2
SCHEMBL4031163 0.89 CHRM3 (0.46) CHRM3CHRM1MEN1KMT2ACHRM2
SCHEMBL4026463 0.85 CHRM3 (0.52) CHRM3CHRM1MEN1KMT2AHCRTR1
SCHEMBL4024951 0.84 CHRM3 (0.44) CHRM3CHRM1MEN1KMT2ACHRM2
SCHEMBL4028248 0.84 CHRM3 (0.52) CHRM3CHRM1
SCHEMBL4028003 0.83 CHRM3 (0.48) CHRM3CHRM1CHRM2
SCHEMBL5710621 0.82 LMNA (0.40) CHRM3
SCHEMBL3037326 0.82 CHRM3 (0.48) CHRM3CHRM1MEN1KMT2ACHRM2
SCHEMBL4031110 0.82 CHRM3 (0.56) CHRM3CHRM1CHRM2

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
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed