SCHEMBL17209587

SCHEMBL17209587

CCCC(CC)(CCC)CCc1cccc(C(O)CCN)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
RIPK1 Q13546 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL13630750 0.87 NOS1 (0.36) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL21942326 0.87 NOS1 (0.38) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL612802 0.87 NOS1 (0.38) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL611515 0.86 NOS1 (0.37) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL611381 0.86 NOS1 (0.37) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL13862298 0.86 NOS1 (0.39) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL612664 0.86 NOS1 (0.37) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL612059 0.85 RIPK1 (0.37) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL13862294 0.84 RIPK1 (0.39) PNMTNOS1NOS2RIPK1TAAR1
SCHEMBL13617220 0.83 RIPK1 (0.38) PNMTNOS1NOS2RIPK1TAAR1

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-2015164419-A1 PUPILLOMETRIC ASSESSMENT OF RETINAL PHARMACODYNAMICS AND RESPONSES THEREFROM ACUCELA INC. (US) 2015-10-29 WO disclosed