SCHEMBL4023857

SCHEMBL4023857

Cn1cc(OC(=O)Nc2ccccc2-c2ccccc2Cl)c(C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.51
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 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
SCHEMBL4028195 0.87 CHRM3 (0.53) CHRM3CHRM2CHRM1
SCHEMBL4033789 0.87 CHRM3 (0.53) CHRM3
SCHEMBL4030601 0.86 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL4031110 0.84 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL4027611 0.84 CHRM3 (0.47) CHRM3MEN1KMT2AALDH1A1HTT
SCHEMBL4027573 0.83 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL4024486 0.80 CHRM3 (0.56) CHRM3
SCHEMBL4030379 0.80 CHRM3 (0.56) CHRM3
SCHEMBL4024951 0.80 CHRM3 (0.44) CHRM3MEN1KMT2AALDH1A1HTT
SCHEMBL4030244 0.80 CHRM3 (0.46) CHRM3MEN1KMT2AALDH1A1HTT

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