SCHEMBL4382356

SCHEMBL4382356

CCOC(=O)[C@@H]1C2CCC(C2)C1NCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.42
CHRM1 P11229 8/20 0.38
CHRM5 P08912 2/20 0.37
CTSL P07711 2/20 0.36
LMNA P02545 1/20 0.36
CAPN1 P07384 1/20 0.36
CTSB P07858 1/20 0.36
CTSG P08311 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL394944 1.00 CAPN9 (0.42) CAPN9CHRM1CHRM5CTSLLMNA
SCHEMBL4392324 1.00 CAPN9 (0.42) CAPN9CHRM1CHRM5CTSLLMNA
SCHEMBL8759310 1.00 CAPN9 (0.42) CAPN9CHRM1CHRM5CTSLLMNA
SCHEMBL392906 0.87 ALDH1A1 (0.40) CAPN9ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL10256935 0.87 ALDH1A1 (0.40) CAPN9ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL4544280 0.82 CHRM1 (0.38) CHRM1CHRM5ALDH1A1CYP2C9CYP2C19
SCHEMBL4544281 0.82 CHRM1 (0.38) CHRM1CHRM5ALDH1A1CYP2C9CYP2C19
SCHEMBL8761325 0.82 CHRM1 (0.38) CHRM1CHRM5ALDH1A1CYP2C9CYP2C19
SCHEMBL390589 0.82 CHRM1 (0.38) CHRM1CHRM5ALDH1A1CYP2C9CYP2C19
SCHEMBL14137635 0.78 PPM1B (0.41) ALDH1A1CYP2C9CYP2C19MEN1KMT2A

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