SCHEMBL29015210

SCHEMBL29015210

[CH2]C(C)C(O)(Cc1nccc2c(N)c(C)ccc12)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 3/20 0.33
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL25371939 0.92 NOS3 (0.34) LNPEPNOS3NOS2
SCHEMBL26373752 0.73 PDE3B (0.41) NOS3NOS2
SCHEMBL26373119 0.72 PDE3B (0.42) NOS3NOS2
SCHEMBL3344492 0.65 NOS3 (0.48) NOS3NOS2
SCHEMBL30401972 0.65 NOS2 (0.59) NOS3NOS2
SCHEMBL30402640 0.64 FLT1 (0.38) NOS3NOS2
SCHEMBL24399590 0.64 FLT1 (0.38) NOS3NOS2
SCHEMBL24399752 0.64 PARP1 (0.36) NOS3NOS2
SCHEMBL30402388 0.64 PARP1 (0.36) NOS3NOS2
SCHEMBL25375372 0.64 MBOAT4 (0.39) NOS3NOS2

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-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
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