SCHEMBL29205159

SCHEMBL29205159

N#CC(=C1CCN(C(=O)N2CCC(CO)CC2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
MGLL Q99685 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PROKR1 Q8TCW9 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PDK2 Q15119 1/20 0.32
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL30828309 1.00 HSD11B1 (0.41) HSD11B1USP30ALDH1A1LMNAHSD17B10
SCHEMBL29205132 0.88 HSD11B1 (0.40) HSD11B1MGLL
SCHEMBL27166101 0.88 HSD11B1 (0.44) HSD11B1USP30ALDH1A1LMNAHSD17B10
SCHEMBL30055083 0.88 HSD11B1 (0.44) HSD11B1USP30ALDH1A1LMNAHSD17B10
SCHEMBL27166031 0.85 ALOX5 (0.48) MEN1KMT2AALOX5MGLLPROKR1
SCHEMBL27166073 0.85 ALOX5 (0.33) HSD11B1ALOX5MGLLDPP4
SCHEMBL30055584 0.84 MGLL (0.42) HSD11B1USP30ALOX5MGLLKCNH2
SCHEMBL27166063 0.84 MGLL (0.42) HSD11B1USP30ALOX5MGLLKCNH2
SCHEMBL27166106 0.83 HSD11B1 (0.41) HSD11B1USP30MGLLPROKR1DPP4
SCHEMBL27166093 0.82 HSD11B1 (0.38) HSD11B1USP30ALDH1A1LMNAHSD17B10

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
CN-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed