SCHEMBL7977947

SCHEMBL7977947

CC(C)N(C(=O)n1nnn(CC2CCCCC2)c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ATM Q13315 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNJ6 P48051 1/20 0.36

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
SCHEMBL7986002 0.94 CHRM2 (0.41) CHRM2CHRM1CHRM3MEN1MAPT
SCHEMBL9620371 0.81 ALDH1A1 (0.46) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL9620447 0.79 ALDH1A1 (0.43) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL8546039 0.79 ALDH1A1 (0.43) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL8346740 0.79 ALDH1A1 (0.43) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL8550504 0.78 ALDH1A1 (0.43) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL8690403 0.78 ALDH1A1 (0.49) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL8550089 0.77 ALDH1A1 (0.42) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL9620586 0.77 ALDH1A1 (0.42) CHRM2CHRM1CHRM3NPSR1MEN1
SCHEMBL7977970 0.77 ALDH1A1 (0.42) CHRM2CHRM1CHRM3NPSR1MEN1

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-6262275-B1 AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-07-17 US disclosed
US-6017853-A HERBICIDES; CHEMICAL INTERMEDIATES NIHON BAYER AGROCHEM K.K. (JP) 2000-01-25 US disclosed