SCHEMBL4028003

SCHEMBL4028003

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.48
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 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
SCHEMBL4031163 0.90 CHRM3 (0.46) CHRM3CHRM2CHRM1LMNASLC6A4
SCHEMBL5710621 0.90 LMNA (0.40) CHRM3ALDH1A1LMNASLC6A3L3MBTL1
SCHEMBL4027584 0.89 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL4025589 0.87 CHRM3 (0.46) CHRM3ALDH1A1KDM4E
SCHEMBL4023977 0.85 CHRM3 (0.50) CHRM3ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL4024951 0.83 CHRM3 (0.44) CHRM3CHRM2CHRM1ALDH1A1KDM4E
SCHEMBL4025520 0.83 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL4025143 0.83 CHRM3 (0.50) CHRM3ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL4025092 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL4027573 0.82 CHRM3 (0.54) 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