SCHEMBL4007635

SCHEMBL4007635

[CH2][C@H]1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.71
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ACACA Q13085 6/20 0.64
TACR3 P29371 1/20 0.62
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.54
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53

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) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4391974 0.91 ACACB (0.74) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4393385 0.89 ACACB (0.71) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4007641 0.89 ACACB (0.74) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4393382 0.89 ACACB (0.71) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4002278 0.87 ACACB (0.78) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4010465 0.87 ACACB (0.59) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4006941 0.85 ACACB (0.72) ACACBKDM4EACACACYP3A4CYP1A2
SCHEMBL23722853 0.85 ACACB (0.66) ACACBALDH1A1KDM4EL3MBTL1ACACA
SCHEMBL4390184 0.85 ACACB (0.69) ACACBALDH1A1KDM4EL3MBTL1ACACA

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