SCHEMBL7687650

SCHEMBL7687650

C#CCN1C(=O)COc2cc(F)c(NC(=O)NCCC)cc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL9224359 0.86 POLB (0.43) CHRM1POLBTSHR
SCHEMBL9228447 0.84 POLB (0.44) CHRM1POLBKDM4EGAATSHR
SCHEMBL9031064 0.84 POLB (0.44) CHRM1POLBTSHRKMT2A
SCHEMBL9727365 0.83 POLB (0.44) CHRM1POLBTSHR
SCHEMBL6831854 0.78 POLB (0.38) CHRM1POLBTSHR
SCHEMBL12654920 0.78 POLB (0.38) CHRM1POLBTSHR
SCHEMBL10844388 0.78 POLB (0.38) CHRM1POLBKDM4EMEN1KMT2A
SCHEMBL9477604 0.78 POLB (0.35) CHRM1POLBKDM4ETSHRNPSR1
SCHEMBL9477612 0.78 POLB (0.35) CHRM1POLBKDM4ETSHRNPSR1
SCHEMBL303837 0.76 POLB (0.36) CHRM1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444615-B1 COMPOUNDS EFFECTIVE AS PREEMERGENT AND POSTEMERGENT HERBICIDES DOW AGROSCIENCES LLC 2002-09-03 US disclosed
EP-1157991-A2 Herbicidal imidazolidinetrione and thioxo-imidazolidinediones Dow AgroSciences LLC (US) 2001-11-28 EP disclosed