SCHEMBL4544280

SCHEMBL4544280

CCOC(=O)C1C2CC[C@H](C2)C1NCCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.38
CHRM5 P08912 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
EPHX2 P34913 1/20 0.34
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL390589 1.00 CHRM1 (0.38) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL8761325 1.00 CHRM1 (0.38) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL4544281 1.00 CHRM1 (0.38) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL4392324 0.82 CAPN9 (0.42) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL8759310 0.82 CAPN9 (0.42) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL4382356 0.82 CAPN9 (0.42) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL394944 0.82 CAPN9 (0.42) CHRM1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL392906 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10256935 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL14137635 0.79 PPM1B (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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
EP-2129224-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed