SCHEMBL7930800

SCHEMBL7930800

CC(=O)N(CCN(C(C)=O)C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.31

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
SCHEMBL15223832 0.92 CHRM1 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15223942 0.90 ALDH1A1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL497808 0.87 CA12 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14276891 0.87 MAPT (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL24256434 0.85 ALDH1A1 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15946657 0.85 GABRR1 (0.34) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL498398 0.83 EPHX2 (0.41) ALDH1A1
SCHEMBL13496818 0.81 PIK3CD (0.43) ALDH1A1MEN1KMT2A
SCHEMBL16297556 0.81 EPHX2 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL24244846 0.81 BLM (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3

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-0693466-B1 Process for the preparation of aromatic fluorinated compounds and diamides BAYER AG (DE) 2001-10-17 EP disclosed