SCHEMBL4031163

SCHEMBL4031163

Cn1cc(OC(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
NPY1R P25929 2/20 0.41
NPY2R P49146 2/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL4028003 0.90 CHRM3 (0.48) CHRM3CHRM2CHRM1LMNAL3MBTL1
SCHEMBL5710621 0.89 LMNA (0.40) CHRM3LMNANPSR1L3MBTL1SLC6A3
SCHEMBL4025520 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4024951 0.87 CHRM3 (0.44) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4027201 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1NPY1RNPY2R
SCHEMBL4025589 0.84 CHRM3 (0.46) CHRM3SMN1; SMN2NPSR1KMT2ATDP1
SCHEMBL4027584 0.83 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL4026961 0.83 CHRM3 (0.48) CHRM3CHRM2CHRM1NPSR1MEN1
SCHEMBL4031806 0.82 CHRM3 (0.41) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4028195 0.81 CHRM3 (0.53) CHRM3CHRM2CHRM1

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