SCHEMBL7986002

SCHEMBL7986002

CC(C)N(C(=O)n1nnn(CC2CC2)c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL7977947 0.94 CHRM2 (0.39) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL7981665 0.86 ALDH1A1 (0.39) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL9620371 0.84 ALDH1A1 (0.46) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL9620447 0.81 ALDH1A1 (0.43) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL8546039 0.81 ALDH1A1 (0.43) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL8346740 0.81 ALDH1A1 (0.43) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL8690403 0.81 ALDH1A1 (0.49) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL8550504 0.81 ALDH1A1 (0.43) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL8550089 0.80 ALDH1A1 (0.42) CHRM2CHRM1CHRM3ALDH1A1LMNA
SCHEMBL9620586 0.80 ALDH1A1 (0.42) CHRM2CHRM1CHRM3ALDH1A1LMNA

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