SCHEMBL23482140

SCHEMBL23482140

C=C1CCCc2cc(C)sc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
NOTUM Q6P988 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
SCHEMBL17970192 0.76 MEN1 (0.36) PNMTNOS3NOS2NOTUM
SCHEMBL13963484 0.75 PNMT (0.43) PNMTNOS3NOS2NOTUM
SCHEMBL13303499 0.72 MEN1 (0.40) PNMTNOS3NOS2
SCHEMBL6860577 0.70
SCHEMBL2775298 0.67 PNMT (0.37) PNMTNOS3NOS2NOTUM
SCHEMBL1823806 0.66 NOS3 (0.39) PNMTNOS3NOS2
SCHEMBL147105 0.66 PNMT (0.53) PNMT
SCHEMBL15001031 0.64 PNMT (0.43) PNMTNOS3NOS2NOTUM
SCHEMBL17970195 0.64 PNMT (0.52) PNMT
SCHEMBL21093837 0.64 PNMT (0.52) PNMT

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
WO-2021113809-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION (US) 2021-06-10 WO disclosed