SCHEMBL4007641

SCHEMBL4007641

CC1CCC(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.74
ACACA Q13085 6/20 0.67
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TACR3 P29371 1/20 0.62
CYP3A4 P08684 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL4391971 0.91 ACACB (0.74) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4391974 0.91 ACACB (0.74) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4002278 0.89 ACACB (0.78) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4007635 0.89 ACACB (0.71) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4393382 0.89 ACACB (0.71) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4393385 0.89 ACACB (0.71) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4008278 0.88 ACACB (0.60) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4009702 0.87 ACACB (0.69) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL4390184 0.87 ACACB (0.69) ACACBACACAALDH1A1KDM4EL3MBTL1
SCHEMBL13590677 0.86 ACACB (0.77) ACACBACACAALDH1A1KDM4EL3MBTL1

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
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed