SCHEMBL30280803

SCHEMBL30280803

Cc1ccc(C(=O)N2CCC(c3ccccc3C#N)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
PROKR1 Q8TCW9 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC9A1 P19634 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
DRD4 P21917 1/20 0.45
FASN P49327 9/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP10 Q53GL7 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL30280881 0.96 PROKR1 (0.55) HSD11B1PROKR1CYP2D6CYP2C9SLC9A1
SCHEMBL30280876 0.85 PROKR1 (0.47) PROKR1CYP2D6CYP2C9SLC9A1CYP2C19
SCHEMBL18432585 0.84 FASN (0.52) FASN
SCHEMBL30280729 0.82 FASN (0.49) FASN
SCHEMBL28315213 0.82 MEN1 (0.46) HSD11B1PROKR1CYP2D6CYP2C9SLC9A1
SCHEMBL4180599 0.81 FASN (0.60) PROKR1DRD4FASN
SCHEMBL4735211 0.81 CA12 (0.58) HSD11B1ALDH1A1TP53HPGDFASN
SCHEMBL4168210 0.81 FASN (0.64) FASN
SCHEMBL30010047 0.81 FASN (0.64) FASN
SCHEMBL4191691 0.79 FASN (0.67) 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