SCHEMBL29205175

SCHEMBL29205175

COC1CCN(C(=O)N2CCC(=C(C#N)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
PDE4B Q07343 1/20 0.41
HSD11B1 P28845 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL30828281 1.00 MGLL (0.42) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL30056286 0.89 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL30055420 0.89 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL27166097 0.89 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL29205190 0.89 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL27166027 0.87 MGLL (0.45) MGLLHSD11B1MEN1KMT2ANPSR1
SCHEMBL30055604 0.87 MGLL (0.45) MGLLHSD11B1MEN1KMT2ANPSR1
SCHEMBL27166109 0.87 PROKR1 (0.44) MGLLPDE4BMEN1KMT2A
SCHEMBL30055357 0.87 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A
SCHEMBL27166064 0.87 MGLL (0.40) MGLLPDE4BHSD11B1MEN1KMT2A

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