SCHEMBL3701124

SCHEMBL3701124

COC(=O)C(=O)[C@]1(C(=O)O)CCCCN1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL3391838 0.95 NPSR1 (0.32) NPSR1CYP4F2CYP4A11
SCHEMBL3934353 0.79 ARG1 (0.34)
SCHEMBL14246934 0.76
SCHEMBL8371988 0.76 FFAR3 (0.31)
SCHEMBL8993303 0.76 FFAR3 (0.31)
SCHEMBL1234317 0.74 ARG1 (0.33)
SCHEMBL28200534 0.73
SCHEMBL774037 0.72 ARG1 (0.39)
SCHEMBL7874343 0.71 CYP4F2 (0.30) NPSR1CYP4F2CYP4A11
SCHEMBL26108087 0.71 CYP4F2 (0.30) NPSR1CYP4F2CYP4A11

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-2010077317-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed