SCHEMBL19346901

SCHEMBL19346901

C#CCNC(=O)C(=O)c1c(C)c(C(O)Nc2ccc(F)c(C#N)c2)n(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 9/20 0.35
GRM4 Q14833 1/20 0.32
PGR P06401 1/20 0.32
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL19346992 0.90 MAPT (0.34) SLC10A1PGR
SCHEMBL22510932 0.86 SLC10A1 (0.33) SLC10A1GRM4PGR
SCHEMBL22511208 0.86 GRM4 (0.36) SLC10A1GRM4PGRLRRK2
SCHEMBL19332096 0.82 SLC10A1 (0.47) SLC10A1GRM4LRRK2
SCHEMBL22545643 0.80 SLC10A1 (0.36) SLC10A1
SCHEMBL22545644 0.79 SLC10A1 (0.43) SLC10A1
SCHEMBL21427927 0.78 SLC10A1 (0.44) SLC10A1GRM4LRRK2
SCHEMBL22511068 0.78 SLC10A1 (0.44) SLC10A1GRM4LRRK2
SCHEMBL22511269 0.77 SLC10A1 (0.43) SLC10A1GRM4LRRK2
SCHEMBL32682269 0.77 SLC10A1 (0.43) SLC10A1GRM4LRRK2

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-2017156255-A1 ELIMINATION OF HEPATITIS B VIRUS WITH ANTIVIRAL AGENTS EMORY UNIVERSITY (US) 2017-09-14 WO disclosed