SCHEMBL13768280

SCHEMBL13768280

CNC[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccc(N4CC[C@@H](O)C4)nc3)nc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.53
ACACA Q13085 13/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NAPEPLD Q6IQ20 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4395489 0.94 ACACB (0.52) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4395481 0.94 ACACB (0.52) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4392809 0.89 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4392817 0.89 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4391583 0.88 ACACB (0.54) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4391594 0.88 ACACB (0.54) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4566636 0.88 ACACB (0.47) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4395558 0.88 ACACB (0.54) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4395569 0.88 ACACB (0.54) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL13590746 0.86 ACACB (0.60) ACACBACACACYP1A2CYP3A4CYP2C9

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