SCHEMBL30280978

SCHEMBL30280978

Cc1cc(C)c(C(=O)N2CCC(c3ccccc3C#N)CC2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 17/20 0.52
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC9A1 P19634 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL30281041 0.92 FASN (0.55) FASN
SCHEMBL30280821 0.90 FASN (0.44) FASNCYP2D6CYP2C9SLC9A1CYP2C19
SCHEMBL30280876 0.87 PROKR1 (0.47) FASNCYP2D6CYP2C9SLC9A1CYP2C19
SCHEMBL20139868 0.83 MTOR (0.52) DRD4
SCHEMBL12488344 0.82 FASN (0.68) FASN
SCHEMBL30280817 0.82 FASN (0.68) FASN
SCHEMBL30280776 0.79 FASN (0.57) FASN
SCHEMBL30280901 0.79 FASN (0.54) FASN
SCHEMBL30410302 0.77 FASN (0.59) FASN
SCHEMBL30280787 0.77 FASN (0.57) FASN

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed